1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine

C17H33N3 — CID 104746658

IUPAC1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
SMILESCNC(CN1CCC2CCC(C1)N2C)C1CCCCC1
InChIInChI=1S/C17H33N3/c1-18-17(14-6-4-3-5-7-14)13-20-11-10-15-8-9-16(12-20)19(15)2/h14-18H,3-13H2,1-2H3
InChIKeyWLWUUCPQQMCPHZ-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds4

About 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine

1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine (PubChem CID 104746658) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
PubChem CID104746658
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
SMILESCNC(CN1CCC2CCC(C1)N2C)C1CCCCC1
InChIInChI=1S/C17H33N3/c1-18-17(14-6-4-3-5-7-14)13-20-11-10-15-8-9-16(12-20)19(15)2/h14-18H,3-13H2,1-2H3
InChIKeyWLWUUCPQQMCPHZ-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine with MolForge

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Related Compounds

3-[(3,3-Difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 114224398
3-[3-(Trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115313722
3-[4-(Trifluoromethyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115313868
3-[(3,3-Difluorocyclohexyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 121668849
(3S)-N-[(1R)-1-cyclohexylethyl]-1-methylpyrrolidin-3-amine
CID 93876517
7-Methyl-3,9-diazabicyclo[4.2.1]nonane
CID 19908227
Aluminum;lithium;hydride;7-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 67919910
butyl-dimethyl-[[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]methyl]azanium
CID 90147569
(1S,6R)-3-tert-butyl-6-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 118000181
8-Decan-2-yl-6-methyl-3,8-diazabicyclo[3.2.1]octane
CID 121372027
2,6-Diazatricyclo[4.3.2.03,8]undecane
CID 129124640
3-Tert-butyl-1-[2-(1-tert-butyl-4-methylpyrrolidin-2-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 146323004

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine (CID 104746658) is 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine is CNC(CN1CCC2CCC(C1)N2C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
The InChIKey is WLWUUCPQQMCPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-18-17(14-6-4-3-5-7-14)13-20-11-10-15-8-9-16(12-20)19(15)2/h14-18H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine?
1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine is sourced from PubChem (CID 104746658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).