N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine

C18H25N — CID 106227111

IUPACN-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine
SMILESC#CC(CCC)NC1CCCCC1c1ccccc1
InChIInChI=1S/C18H25N/c1-3-10-16(4-2)19-18-14-9-8-13-17(18)15-11-6-5-7-12-15/h2,5-7,11-12,16-19H,3,8-10,13-14H2,1H3
InChIKeyJZJKFQIWTFAODW-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.10
Rot. Bonds5

About N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine

N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine (PubChem CID 106227111) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine
PubChem CID106227111
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine
SMILESC#CC(CCC)NC1CCCCC1c1ccccc1
InChIInChI=1S/C18H25N/c1-3-10-16(4-2)19-18-14-9-8-13-17(18)15-11-6-5-7-12-15/h2,5-7,11-12,16-19H,3,8-10,13-14H2,1H3
InChIKeyJZJKFQIWTFAODW-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-octan-4-yl-2-phenylcyclohexan-1-amine
CID 106023658
3-[(2-phenylcyclohexyl)amino]pentan-1-ol
CID 115723129
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
CID 106227277
N-but-3-en-2-yl-2-phenylcyclohexan-1-amine
CID 115908185
2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
CID 43784317
N-[cyclopropyl(phenyl)methyl]hex-1-yn-3-amine
CID 114160919
2-phenyl-N-(1-phenylbutyl)cyclopropan-1-amine
CID 63454721
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
CID 106252164
N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine
CID 106224805

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine?
The IUPAC name of N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine (CID 106227111) is N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine is C#CC(CCC)NC1CCCCC1c1ccccc1.
What is the InChIKey of N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine?
The InChIKey is JZJKFQIWTFAODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-3-10-16(4-2)19-18-14-9-8-13-17(18)15-11-6-5-7-12-15/h2,5-7,11-12,16-19H,3,8-10,13-14H2,1H3.
What are the key properties of N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine?
N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 106227111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).