N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H34N2 — CID 65470279

IUPACN-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC1CCCC(NC2CC3CCCC(C2)N3C)CC1
InChIInChI=1S/C18H34N2/c1-3-14-6-4-7-15(11-10-14)19-16-12-17-8-5-9-18(13-16)20(17)2/h14-19H,3-13H2,1-2H3
InChIKeyOKUQMXJNKFPZOX-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.95
Rot. Bonds3

About N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65470279) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65470279
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCC1CCCC(NC2CC3CCCC(C2)N3C)CC1
InChIInChI=1S/C18H34N2/c1-3-14-6-4-7-15(11-10-14)19-16-12-17-8-5-9-18(13-16)20(17)2/h14-19H,3-13H2,1-2H3
InChIKeyOKUQMXJNKFPZOX-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471027
4-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1,4-diamine
CID 79741156
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
N-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131525
9-methyl-N-[3-(2-methylpropyl)cyclohexyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 107428543
(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 667781
9-methyl-N-(oxetan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471249
N-(3-ethoxycyclobutyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112554632
3-cyclopropyl-N-(4-ethylcyclohexyl)cyclohexan-1-amine
CID 64623583
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470461
4-ethyl-N-(3-ethylsulfanylcyclopentyl)cycloheptan-1-amine
CID 114122927

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65470279) is N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCC1CCCC(NC2CC3CCCC(C2)N3C)CC1.
What is the InChIKey of N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is OKUQMXJNKFPZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-14-6-4-7-15(11-10-14)19-16-12-17-8-5-9-18(13-16)20(17)2/h14-19H,3-13H2,1-2H3.
What are the key properties of N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 278.48 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcycloheptyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65470279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).