1-(1-phenylcyclohexyl)pent-3-yn-1-amine

C17H23N — CID 63079549

IUPAC1-(1-phenylcyclohexyl)pent-3-yn-1-amine
SMILESCC#CCC(N)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H23N/c1-2-3-12-16(18)17(13-8-5-9-14-17)15-10-6-4-7-11-15/h4,6-7,10-11,16H,5,8-9,12-14,18H2,1H3
InChIKeyNOKNNBXHRAOFIC-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.63
Rot. Bonds3

About 1-(1-phenylcyclohexyl)pent-3-yn-1-amine

1-(1-phenylcyclohexyl)pent-3-yn-1-amine (PubChem CID 63079549) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(1-phenylcyclohexyl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(1-phenylcyclohexyl)pent-3-yn-1-amine
PubChem CID63079549
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-(1-phenylcyclohexyl)pent-3-yn-1-amine
SMILESCC#CCC(N)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H23N/c1-2-3-12-16(18)17(13-8-5-9-14-17)15-10-6-4-7-11-15/h4,6-7,10-11,16H,5,8-9,12-14,18H2,1H3
InChIKeyNOKNNBXHRAOFIC-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclohexyl)pent-3-yn-1-amine?
The IUPAC name of 1-(1-phenylcyclohexyl)pent-3-yn-1-amine (CID 63079549) is 1-(1-phenylcyclohexyl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(1-phenylcyclohexyl)pent-3-yn-1-amine?
The canonical SMILES for 1-(1-phenylcyclohexyl)pent-3-yn-1-amine is CC#CCC(N)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 1-(1-phenylcyclohexyl)pent-3-yn-1-amine?
The InChIKey is NOKNNBXHRAOFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-3-12-16(18)17(13-8-5-9-14-17)15-10-6-4-7-11-15/h4,6-7,10-11,16H,5,8-9,12-14,18H2,1H3.
What are the key properties of 1-(1-phenylcyclohexyl)pent-3-yn-1-amine?
1-(1-phenylcyclohexyl)pent-3-yn-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclohexyl)pent-3-yn-1-amine is sourced from PubChem (CID 63079549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).