3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane

C17H32N2 — CID 160741389

IUPAC3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CC(C)C(C1)N2C.CC1CN2CCC1C2
InChIInChI=1S/C10H19N.C7H13N/c1-7-4-9-6-8(2)10(5-7)11(9)3;1-6-4-8-3-2-7(6)5-8/h7-10H,4-6H2,1-3H3;6-7H,2-5H2,1H3
InChIKeyRVQCHOGMIRQVPZ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.08
Rot. Bonds

About 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane

3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane (PubChem CID 160741389) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane
PubChem CID160741389
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CC(C)C(C1)N2C.CC1CN2CCC1C2
InChIInChI=1S/C10H19N.C7H13N/c1-7-4-9-6-8(2)10(5-7)11(9)3;1-6-4-8-3-2-7(6)5-8/h7-10H,4-6H2,1-3H3;6-7H,2-5H2,1H3
InChIKeyRVQCHOGMIRQVPZ-UHFFFAOYSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

3-[4,4-Dimethyl-3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]pentyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 58400651
2,3-Diethyl-8-[3-[2-ethyl-3-[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-5-azoniaspiro[4.5]decan-8-yl]propyl]-5-azoniaspiro[4.5]decane
CID 59080082
8-Methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-8-azabicyclo[3.2.1]octane
CID 91522363
3-Tert-butyl-8-[5-(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-2,5-dimethylhexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 130253481
8-Propan-2-yl-3-[5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 132192973
3-Tert-butyl-8-[3-(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-2,3-dimethylbutan-2-yl]-8-azabicyclo[3.2.1]octane
CID 134186103
3-Tert-butyl-8-[5-(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-methylhexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 134411015
3-Methyl-8-[5-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)hexan-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 135188561
4-Propan-2-yl-5-[3-[2-(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-6-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]-4-azaspiro[2.4]heptane
CID 135197153
3-Tert-butyl-8-[5-(2-tert-butyl-2-azabicyclo[2.2.1]heptan-5-yl)-2-methylhexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 138549964
3-methyl-8-[2-[(2S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethyl]-8-azabicyclo[3.2.1]octane
CID 138616809
3-Propan-2-yl-8-[5-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 138722435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane (CID 160741389) is 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane is CC1CC2CC(C)C(C1)N2C.CC1CN2CCC1C2.
What is the InChIKey of 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is RVQCHOGMIRQVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C7H13N/c1-7-4-9-6-8(2)10(5-7)11(9)3;1-6-4-8-3-2-7(6)5-8/h7-10H,4-6H2,1-3H3;6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane?
3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 264.46 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-azabicyclo[2.2.1]heptane;3,6,8-trimethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 160741389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).