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

C16H29N — CID 63505316

IUPACN-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)C1=CCCCC1
InChIInChI=1S/C16H29N/c1-2-12-17-16(13-14-8-6-7-9-14)15-10-4-3-5-11-15/h10,14,16-17H,2-9,11-13H2,1H3
InChIKeyZBFVDWJMRZBOGP-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.44
Rot. Bonds6

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

N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine (PubChem CID 63505316) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
PubChem CID63505316
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)C1=CCCCC1
InChIInChI=1S/C16H29N/c1-2-12-17-16(13-14-8-6-7-9-14)15-10-4-3-5-11-15/h10,14,16-17H,2-9,11-13H2,1H3
InChIKeyZBFVDWJMRZBOGP-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.44
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-cyclobutyl-1-(cyclopenten-1-yl)ethyl]propan-1-amine
CID 103163068
N-[1-(cyclopenten-1-yl)-2-cyclopropylethyl]propan-1-amine
CID 62079426
1-(cyclopenten-1-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 55196271
N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 106654323
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
[1-(cyclohepten-1-yl)-2-cycloheptylethyl]hydrazine
CID 106650401
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine?
The IUPAC name of N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine (CID 63505316) is N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine?
The canonical SMILES for N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine is CCCNC(CC1CCCC1)C1=CCCCC1.
What is the InChIKey of N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine?
The InChIKey is ZBFVDWJMRZBOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-12-17-16(13-14-8-6-7-9-14)15-10-4-3-5-11-15/h10,14,16-17H,2-9,11-13H2,1H3.
What are the key properties of N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine?
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine is sourced from PubChem (CID 63505316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).