N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine

C17H31N — CID 65082862

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C17H31N/c1-2-15-9-6-10-17(12-11-15)18-14-13-16-7-4-3-5-8-16/h7,15,17-18H,2-6,8-14H2,1H3
InChIKeyCTRKEQHEPPZTMV-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.83
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine (PubChem CID 65082862) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
PubChem CID65082862
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C17H31N/c1-2-15-9-6-10-17(12-11-15)18-14-13-16-7-4-3-5-8-16/h7,15,17-18H,2-6,8-14H2,1H3
InChIKeyCTRKEQHEPPZTMV-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
CID 60713815
(3S)-N-[2-(cyclohexen-1-yl)ethyl]thian-3-amine
CID 94885734
N-[2-(cyclopenten-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844817
cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
CID 97030527
N-[2-(cyclopenten-1-yl)ethyl]-1-methylpiperidin-3-amine
CID 106169620
N-[2-(cyclohexen-1-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131687
N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072748
N'-(4-ethylcycloheptyl)ethane-1,2-diamine
CID 65083098
(3R)-N-[2-(cyclohexen-1-yl)ethyl]thiolan-3-amine
CID 28620749
N-[2-(cyclohexen-1-yl)ethyl]oxolan-3-amine
CID 63331729
N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 43078509
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine (CID 65082862) is N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine is CCC1CCCC(NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine?
The InChIKey is CTRKEQHEPPZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-2-15-9-6-10-17(12-11-15)18-14-13-16-7-4-3-5-8-16/h7,15,17-18H,2-6,8-14H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65082862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).