N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine

C18H31N — CID 106654416

IUPACN-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)C1=CCCCCC1
InChIInChI=1S/C18H31N/c1-2-14-19-18(15-16-10-6-5-7-11-16)17-12-8-3-4-9-13-17/h10,12,18-19H,2-9,11,13-15H2,1H3
InChIKeyNOWYTAGWLCFYTH-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.14
Rot. Bonds6

About N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine

N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine (PubChem CID 106654416) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
PubChem CID106654416
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1=CCCCC1)C1=CCCCCC1
InChIInChI=1S/C18H31N/c1-2-14-19-18(15-16-10-6-5-7-11-16)17-12-8-3-4-9-13-17/h10,12,18-19H,2-9,11,13-15H2,1H3
InChIKeyNOWYTAGWLCFYTH-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.14
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

N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
N-[1-(cyclohexen-1-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 63505635
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170
N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 63506622
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 116661734
N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 102833821
N-[2-(cyclohexen-1-yl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 116662088
N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine
CID 106652812
N-[2-(cyclohexen-1-yl)-1-(2-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 116662158

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine (CID 106654416) is N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine is CCCNC(CC1=CCCCC1)C1=CCCCCC1.
What is the InChIKey of N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
The InChIKey is NOWYTAGWLCFYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-2-14-19-18(15-16-10-6-5-7-11-16)17-12-8-3-4-9-13-17/h10,12,18-19H,2-9,11,13-15H2,1H3.
What are the key properties of N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine?
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106654416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).