N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H30N2 — CID 54932012

IUPACN-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCC1CCCCC1)C2
InChIInChI=1S/C16H30N2/c1-18-15-7-8-16(18)12-14(11-15)17-10-9-13-5-3-2-4-6-13/h13-17H,2-12H2,1H3
InChIKeyFVTVCVPCBLPQPH-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds4

About N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 54932012) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID54932012
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCC1CCCCC1)C2
InChIInChI=1S/C16H30N2/c1-18-15-7-8-16(18)12-14(11-15)17-10-9-13-5-3-2-4-6-13/h13-17H,2-12H2,1H3
InChIKeyFVTVCVPCBLPQPH-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472545
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cyclohexylethyl)oxetan-3-amine
CID 63623286
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
(1R,5S)-N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 667781
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
8-methyl-N-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63981872
N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63448545
N-(2-ethylsulfonylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107093619
N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
CID 43131793
9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472549

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 54932012) is N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCCC1CCCCC1)C2.
What is the InChIKey of N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FVTVCVPCBLPQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-18-15-7-8-16(18)12-14(11-15)17-10-9-13-5-3-2-4-6-13/h13-17H,2-12H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 54932012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).