1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane

C49H98N8 — CID 162200398

IUPAC1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CC2(CCN(C)CC2)C1.CC(C)N1CCC2(CCCN(C)C2)CC1.CC(C)N1CCCC2(CCCN2C)C1.CC(C)N1CCCC2(CCN(C)CC2)C1
InChIInChI=1S/2C13H26N2.C12H24N2.C11H22N2/c1-12(2)15-8-4-5-13(11-15)6-9-14(3)10-7-13;1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;1-11(2)14-9-5-7-12(10-14)6-4-8-13(12)3;1-10(2)13-8-11(9-13)4-6-12(3)7-5-11/h2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3
InChIKeyZRMSYKIRXSIBMF-UHFFFAOYSA-N
MW799.38 g/mol
LogP7.78
Rot. Bonds4

About 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane

1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 162200398) has the molecular formula C49H98N8 and a molecular weight of 799.38 g/mol. Its IUPAC name is 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID162200398
Molecular FormulaC49H98N8
Molecular Weight799.38 g/mol
Exact Mass798.79
IUPAC Name1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CC2(CCN(C)CC2)C1.CC(C)N1CCC2(CCCN(C)C2)CC1.CC(C)N1CCCC2(CCCN2C)C1.CC(C)N1CCCC2(CCN(C)CC2)C1
InChIInChI=1S/2C13H26N2.C12H24N2.C11H22N2/c1-12(2)15-8-4-5-13(11-15)6-9-14(3)10-7-13;1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;1-11(2)14-9-5-7-12(10-14)6-4-8-13(12)3;1-10(2)13-8-11(9-13)4-6-12(3)7-5-11/h2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3
InChIKeyZRMSYKIRXSIBMF-UHFFFAOYSA-N
XLogP7.78
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.38
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane with MolForge

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Launch Full Analysis

Related Compounds

3-Tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 146548378
1-[2-(1-tert-butylazetidin-3-yl)ethyl]-4-propan-2-ylpiperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-(1-tert-butylazetidin-3-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;4-tert-butyl-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;4-(4,4-dimethylpentyl)-1-methyl-1-propan-2-ylpiperazin-1-ium
CID 157246839
1,4-Dimethylpiperidine;1-ethyl-4-methylpiperazine;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine;1,1,3-trimethylcyclobutane;1,4,4-trimethylpiperidine
CID 157252650
2-Methyl-7-propan-2-yl-7-azaspiro[3.5]nonane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-7-propan-2-yl-2,7-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 157345444
(2S,4S)-2,4-dimethyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;(2R,4R)-2,4-dimethyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;(2S,5R)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2R,5R)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2S,5S)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2S,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(3S,5R)-3,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2R)-2-methyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(3S)-3-methyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(4R)-4-methyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine
CID 158816505
bis(1,4-ditert-butyl-2,2-dimethylpiperazine);bis(1,4-ditert-butyl-2,2-dimethylpiperidine);bis(1,4-ditert-butyl-3,3-dimethylpiperidine);bis((2S)-1,4-ditert-butyl-2-methylpiperazine);bis((2R)-1,4-ditert-butyl-2-methylpiperazine);bis((2S)-1,4-ditert-butyl-2-methylpiperidine);bis((2R)-1,4-ditert-butyl-2-methylpiperidine);bis((3S)-1,4-ditert-butyl-3-methylpiperidine);bis((3R)-1,4-ditert-butyl-3-methylpiperidine)
CID 158962024
3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;(2S)-1,4-ditert-butyl-2-methylpiperazine;(2R)-1,4-ditert-butyl-2-methylpiperazine
CID 159454430
Bis(1,8-dimethyl-1,8-diazaspiro[5.5]undecane);bis(1,9-dimethyl-1,9-diazaspiro[5.5]undecane);bis(2,8-dimethyl-2,8-diazaspiro[5.5]undecane);bis(2,9-dimethyl-2,9-diazaspiro[5.5]undecane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane;ethane
CID 159456154
2-Tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;bis(7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane);6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 159608293
6-Tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
CID 159887633
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 160063488
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-(1-tert-butylazetidin-3-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine
CID 160334265

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane (CID 162200398) is 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane is CC(C)N1CC2(CCN(C)CC2)C1.CC(C)N1CCC2(CCCN(C)C2)CC1.CC(C)N1CCCC2(CCCN2C)C1.CC(C)N1CCCC2(CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is ZRMSYKIRXSIBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2.C12H24N2.C11H22N2/c1-12(2)15-8-4-5-13(11-15)6-9-14(3)10-7-13;1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;1-11(2)14-9-5-7-12(10-14)6-4-8-13(12)3;1-10(2)13-8-11(9-13)4-6-12(3)7-5-11/h2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3.
What are the key properties of 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane?
1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 799.38 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 162200398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).