N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine

C17H23N — CID 106224805

IUPACN-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine
SMILESC#CC(CC)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H23N/c1-3-16(4-2)18-17-12-10-15(11-13-17)14-8-6-5-7-9-14/h1,5-9,15-18H,4,10-13H2,2H3
InChIKeyQUGWVDZFRVNKCZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.71
Rot. Bonds4

About N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine

N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine (PubChem CID 106224805) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine
PubChem CID106224805
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine
SMILESC#CC(CC)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H23N/c1-3-16(4-2)18-17-12-10-15(11-13-17)14-8-6-5-7-9-14/h1,5-9,15-18H,4,10-13H2,2H3
InChIKeyQUGWVDZFRVNKCZ-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-yn-3-yl-4-phenylcyclohexan-1-amine
CID 115723560
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
N-(2-methylbutyl)-4-phenylcyclohexan-1-amine
CID 43673843
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
cyclopropylbenzene;ethylhydrazine
CID 22346635
N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
CID 43779146
N-pent-1-yn-3-yl-1-pyridin-4-ylpiperidin-4-amine
CID 114160675
benzene;cyclopropylbenzene
CID 144638417
1-(4-phenylcyclohexyl)propan-1-ol
CID 79298155
N-ethyl-N-methyl-2-[(4-phenylcyclohexyl)amino]propanamide
CID 103107072
N-but-3-yn-2-yl-3-phenylcyclobutan-1-amine
CID 114415383
N-but-2-ynyl-4-phenylcyclohexan-1-amine
CID 115896951

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine?
The IUPAC name of N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine (CID 106224805) is N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine is C#CC(CC)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine?
The InChIKey is QUGWVDZFRVNKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-16(4-2)18-17-12-10-15(11-13-17)14-8-6-5-7-9-14/h1,5-9,15-18H,4,10-13H2,2H3.
What are the key properties of N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine?
N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 106224805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).