2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine

C38H78N6 — CID 158100509

IUPAC2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(C(C)(C)C)CC1.CN1CCC2(CC1)CCN(C(C)(C)C)C2.CN1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/2C13H26N2.C12H26N2/c1-12(2,3)15-9-6-13(7-10-15)5-8-14(4)11-13;1-12(2,3)15-10-7-13(11-15)5-8-14(4)9-6-13;1-12(2,3)14-8-6-11(7-9-14)10-13(4)5/h2*5-11H2,1-4H3;11H,6-10H2,1-5H3
InChIKeyFPEWBHUUDUMYDM-UHFFFAOYSA-N
MW619.08 g/mol
LogP6.46
Rot. Bonds2

About 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine

2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine (PubChem CID 158100509) has the molecular formula C38H78N6 and a molecular weight of 619.08 g/mol. Its IUPAC name is 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine
PubChem CID158100509
Molecular FormulaC38H78N6
Molecular Weight619.08 g/mol
Exact Mass618.63
IUPAC Name2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(C(C)(C)C)CC1.CN1CCC2(CC1)CCN(C(C)(C)C)C2.CN1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/2C13H26N2.C12H26N2/c1-12(2,3)15-9-6-13(7-10-15)5-8-14(4)11-13;1-12(2,3)15-10-7-13(11-15)5-8-14(4)9-6-13;1-12(2,3)14-8-6-11(7-9-14)10-13(4)5/h2*5-11H2,1-4H3;11H,6-10H2,1-5H3
InChIKeyFPEWBHUUDUMYDM-UHFFFAOYSA-N
XLogP6.46
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.08
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

8-Propan-2-yl-2-[5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)hexan-2-yl]-2,8-diazaspiro[4.5]decane
CID 155277857
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 157442108
1-(5,5-Dimethylhexyl)pyrrolidine;2-(4,4-dimethylpentyl)-1-methylpyrrolidine;1-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2,2,8,8-tetramethylnonane
CID 157686078
Bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine)
CID 158109113
(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,9-di(propan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 158476887
1,9-Dimethyl-1,9-diazaspiro[4.5]decane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);ethane
CID 158480696
4-Methyl-4-azaspiro[2.4]heptane;5-methyl-5-azaspiro[2.4]heptane;4-methyl-4-azaspiro[2.5]octane;5-methyl-5-azaspiro[2.5]octane;6-methyl-6-azaspiro[2.5]octane
CID 158585795
2-Tert-butyl-9-ethyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-9-propan-2-yl-2,9-diazaspiro[4.5]decane
CID 158650622
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 158680282
Bis(2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane);ethane
CID 158874676
2-Tert-butyl-9-ethyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-9-methyl-2,9-diazaspiro[4.5]decane;2-tert-butyl-9-propan-2-yl-2,9-diazaspiro[4.5]decane;methane
CID 158900420
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 158973700

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine?
The IUPAC name of 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine (CID 158100509) is 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine is CN(C)CC1CCN(C(C)(C)C)CC1.CN1CCC2(CC1)CCN(C(C)(C)C)C2.CN1CCC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine?
The InChIKey is FPEWBHUUDUMYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2.C12H26N2/c1-12(2,3)15-9-6-13(7-10-15)5-8-14(4)11-13;1-12(2,3)15-10-7-13(11-15)5-8-14(4)9-6-13;1-12(2,3)14-8-6-11(7-9-14)10-13(4)5/h2*5-11H2,1-4H3;11H,6-10H2,1-5H3.
What are the key properties of 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine?
2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine has a molecular weight of 619.08 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-methyl-2,8-diazaspiro[4.5]decane;8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;1-(1-tert-butylpiperidin-4-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 158100509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).