N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

C17H32N2 — CID 62713645

IUPACN-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC1CCCCC1C
InChIInChI=1S/C17H32N2/c1-13-6-3-4-7-14(13)12-19-16-8-5-9-17(19)11-15(10-16)18-2/h13-18H,3-12H2,1-2H3
InChIKeyTVYXOWZXWQYBJT-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.42
Rot. Bonds3

About N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713645) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713645
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2CC1CCCCC1C
InChIInChI=1S/C17H32N2/c1-13-6-3-4-7-14(13)12-19-16-8-5-9-17(19)11-15(10-16)18-2/h13-18H,3-12H2,1-2H3
InChIKeyTVYXOWZXWQYBJT-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
N-methyl-1-[(2-methylcyclopentyl)methyl]piperidin-4-amine
CID 107418810
N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711980
9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714370
N-methyl-9-(2-methylcyclopropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712235
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-methyl-1-[(2-methylcyclopentyl)methyl]piperidin-3-amine
CID 107420790
8-[[2-(methylamino)cyclopentyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769279
N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114619140
N-methyl-9-(3-methyl-2-propan-2-ylbutyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 102908223
5-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]pentanamide
CID 106239200
N-methyl-8-(2-methylcyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63281613

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713645) is N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2CC1CCCCC1C.
What is the InChIKey of N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is TVYXOWZXWQYBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13-6-3-4-7-14(13)12-19-16-8-5-9-17(19)11-15(10-16)18-2/h13-18H,3-12H2,1-2H3.
What are the key properties of N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 264.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-[(2-methylcyclohexyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).