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

C16H29N — CID 116662297

IUPACN-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine
SMILESCC(C)NCC(C1=CCCCC1)C1CCCC1
InChIInChI=1S/C16H29N/c1-13(2)17-12-16(15-10-6-7-11-15)14-8-4-3-5-9-14/h8,13,15-17H,3-7,9-12H2,1-2H3
InChIKeyVDWUBIKYNXDCIB-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.29
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine (PubChem CID 116662297) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine
PubChem CID116662297
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine
SMILESCC(C)NCC(C1=CCCCC1)C1CCCC1
InChIInChI=1S/C16H29N/c1-13(2)17-12-16(15-10-6-7-11-15)14-8-4-3-5-9-14/h8,13,15-17H,3-7,9-12H2,1-2H3
InChIKeyVDWUBIKYNXDCIB-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.29
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-(cyclohexen-1-yl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 116662419
N-[cyclobutyl(cyclohexen-1-yl)methyl]ethanamine
CID 62079771
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
cyclohepten-1-yl(cyclooctyl)methanamine
CID 65018804
N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
[2-cyclohexyl-1-(cycloocten-1-yl)-2-methoxyethyl]hydrazine
CID 106649654
N-[2-(cyclohexen-1-yl)-3-methylhexyl]cyclopropanamine
CID 107887258
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-2-amine
CID 82932644
1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
CID 106653171
N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82933173

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine (CID 116662297) is N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine is CC(C)NCC(C1=CCCCC1)C1CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine?
The InChIKey is VDWUBIKYNXDCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-13(2)17-12-16(15-10-6-7-11-15)14-8-4-3-5-9-14/h8,13,15-17H,3-7,9-12H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine?
N-[2-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.29, 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)-2-cyclopentylethyl]propan-2-amine is sourced from PubChem (CID 116662297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).