1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine

C17H23N — CID 132609452

IUPAC1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine
SMILESCN(C)C(C#Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H23N/c1-18(2)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-12H2,1-2H3
InChIKeyVWESBLSTTCRPAA-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.55
Rot. Bonds2

About 1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine

1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine (PubChem CID 132609452) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine
PubChem CID132609452
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine
SMILESCN(C)C(C#Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H23N/c1-18(2)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-12H2,1-2H3
InChIKeyVWESBLSTTCRPAA-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
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-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine?
The IUPAC name of 1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine (CID 132609452) is 1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine.
What is the SMILES notation for 1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine?
The canonical SMILES for 1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine is CN(C)C(C#Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine?
The InChIKey is VWESBLSTTCRPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-18(2)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3,5-6,9-10,16-17H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine?
1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N-dimethyl-3-phenylprop-2-yn-1-amine is sourced from PubChem (CID 132609452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).