8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H28N2 — CID 107853817

IUPAC8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCC1=CCCCC1
InChIInChI=1S/C16H28N2/c1-17-14-11-15-7-8-16(12-14)18(15)10-9-13-5-3-2-4-6-13/h5,14-17H,2-4,6-12H2,1H3
InChIKeyYZCUMDDBEUUQAK-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.09
Rot. Bonds4

About 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107853817) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107853817
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCC1=CCCCC1
InChIInChI=1S/C16H28N2/c1-17-14-11-15-7-8-16(12-14)18(15)10-9-13-5-3-2-4-6-13/h5,14-17H,2-4,6-12H2,1H3
InChIKeyYZCUMDDBEUUQAK-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
1-[2-(cyclopenten-1-yl)ethyl]-N-methylpyrrolidin-3-amine
CID 106172458
1-[2-(cyclopenten-1-yl)ethyl]-N,2-dimethylpiperidin-4-amine
CID 106172504
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730
1-(cyclohexen-1-ylmethyl)-N-methylpyrrolidin-3-amine
CID 130964315
2-[2-(cyclohexen-1-yl)ethyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 107854223
(1S,2S,6S,7S)-4-[2-(cyclohexen-1-yl)ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306611
1-[2-(cyclohexen-1-yl)ethyl]-3,5-dimethylpiperazine
CID 82287017
N-methyl-9-[2-(1-methylimidazol-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106274
N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114136231
2-[2-(cyclohexen-1-yl)ethyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 107851410

Frequently Asked Questions

What is the IUPAC name of 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 107853817) is 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CCC1=CCCCC1.
What is the InChIKey of 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YZCUMDDBEUUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-17-14-11-15-7-8-16(12-14)18(15)10-9-13-5-3-2-4-6-13/h5,14-17H,2-4,6-12H2,1H3.
What are the key properties of 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 248.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107853817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).