2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane

C63H140N6 — CID 158145515

IUPAC2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane
SMILESCC.CC.CC.CC.CC.CC.CC(C)C.CC(C)CN1CCC2(CC1)CCN(CC(C)C)CC2.CC(C)CN1CCC2(CCCN(CC(C)C)C2)CC1.CC(C)CN1CCC2(CCCNC2)CC1
InChIInChI=1S/2C17H34N2.C13H26N2.C4H10.6C2H6/c1-15(2)13-18-9-5-17(6-10-18)7-11-19(12-8-17)14-16(3)4;1-15(2)12-18-10-7-17(8-11-18)6-5-9-19(14-17)13-16(3)4;1-12(2)10-15-8-5-13(6-9-15)4-3-7-14-11-13;1-4(2)3;6*1-2/h2*15-16H,5-14H2,1-4H3;12,14H,3-11H2,1-2H3;4H,1-3H3;6*1-2H3
InChIKeyFULURLSANLFQGH-UHFFFAOYSA-N
MW981.85 g/mol
LogP16.88
Rot. Bonds10

About 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane

2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane (PubChem CID 158145515) has the molecular formula C63H140N6 and a molecular weight of 981.85 g/mol. Its IUPAC name is 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane
PubChem CID158145515
Molecular FormulaC63H140N6
Molecular Weight981.85 g/mol
Exact Mass981.11
IUPAC Name2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane
SMILESCC.CC.CC.CC.CC.CC.CC(C)C.CC(C)CN1CCC2(CC1)CCN(CC(C)C)CC2.CC(C)CN1CCC2(CCCN(CC(C)C)C2)CC1.CC(C)CN1CCC2(CCCNC2)CC1
InChIInChI=1S/2C17H34N2.C13H26N2.C4H10.6C2H6/c1-15(2)13-18-9-5-17(6-10-18)7-11-19(12-8-17)14-16(3)4;1-15(2)12-18-10-7-17(8-11-18)6-5-9-19(14-17)13-16(3)4;1-12(2)10-15-8-5-13(6-9-15)4-3-7-14-11-13;1-4(2)3;6*1-2/h2*15-16H,5-14H2,1-4H3;12,14H,3-11H2,1-2H3;4H,1-3H3;6*1-2H3
InChIKeyFULURLSANLFQGH-UHFFFAOYSA-N
XLogP16.88
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.85
LogP ≤ 516.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

Quinuclidinium pentaiodide
CID 129691072
2,9-Dimethyl-2,9-diazaspiro[5.5]undecane;3,9-dimethyl-2,9-diazaspiro[5.5]undecane
CID 90996887
2,2,3,4-Tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
CID 91801630
3,3,3-Tris(1-piperidin-4-ylpiperidin-3-yl)propan-1-amine;hydrochloride
CID 142779687
2-[2-(2,9-Diazaspiro[5.5]undecan-2-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 146389073
4-Tert-butyl-1-(piperidin-4-ylmethyl)piperidine;4-tert-butyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;ethane
CID 153565424
Bis(4-tert-butyl-1-(piperidin-4-ylmethyl)piperidine);ethane
CID 153565510
3,9-Dimethyl-5-(3-methyl-3,9-diazaspiro[5.5]undecan-11-yl)-3,9-diazaspiro[5.5]undecane
CID 154973127
Potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide
CID 156707594
1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine
CID 157099764
1-Azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;ethane
CID 157136289
(5R)-2,2-dimethyl-5-propan-2-ylpiperidine;(5R)-3,3-dimethyl-5-propan-2-ylpiperidine;(2S,5R)-2-methyl-5-propan-2-ylpiperidine;(3R,5R)-3-methyl-5-propan-2-ylpiperidine;(3S,5R)-3-methyl-5-propan-2-ylpiperidine
CID 157231117

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane (CID 158145515) is 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane is CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)CN1CCC2(CC1)CCN(CC(C)C)CC2.CC(C)CN1CCC2(CCCN(CC(C)C)C2)CC1.CC(C)CN1CCC2(CCCNC2)CC1.
What is the InChIKey of 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is FULURLSANLFQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H34N2.C13H26N2.C4H10.6C2H6/c1-15(2)13-18-9-5-17(6-10-18)7-11-19(12-8-17)14-16(3)4;1-15(2)12-18-10-7-17(8-11-18)6-5-9-19(14-17)13-16(3)4;1-12(2)10-15-8-5-13(6-9-15)4-3-7-14-11-13;1-4(2)3;6*1-2/h2*15-16H,5-14H2,1-4H3;12,14H,3-11H2,1-2H3;4H,1-3H3;6*1-2H3.
What are the key properties of 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane?
2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 981.85 g/mol, XLogP of 16.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 158145515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).