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

C16H28N2 — CID 43131687

IUPACN-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCC1=CCCCC1)C2
InChIInChI=1S/C16H28N2/c1-18-15-7-8-16(18)12-14(11-15)17-10-9-13-5-3-2-4-6-13/h5,14-17H,2-4,6-12H2,1H3
InChIKeyFILSLQCPHVEPJV-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.09
Rot. Bonds4

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

N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131687) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131687
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCC1=CCCCC1)C2
InChIInChI=1S/C16H28N2/c1-18-15-7-8-16(18)12-14(11-15)17-10-9-13-5-3-2-4-6-13/h5,14-17H,2-4,6-12H2,1H3
InChIKeyFILSLQCPHVEPJV-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107853817
N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072748
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65082862
N-[2-(cyclopenten-1-yl)ethyl]-1-methylpiperidin-3-amine
CID 106169620
(3R)-N-[2-(cyclohexen-1-yl)ethyl]thiolan-3-amine
CID 28620749
N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634072
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 43634059
cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
CID 97030527
N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 43078509

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43131687) is N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCCC1=CCCCC1)C2.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FILSLQCPHVEPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-18-15-7-8-16(18)12-14(11-15)17-10-9-13-5-3-2-4-6-13/h5,14-17H,2-4,6-12H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[2-(cyclohexen-1-yl)ethyl]-8-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 N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).