N-but-3-en-2-yl-2-phenylcyclohexan-1-amine

C16H23N — CID 115908185

IUPACN-but-3-en-2-yl-2-phenylcyclohexan-1-amine
SMILESC=CC(C)NC1CCCCC1c1ccccc1
InChIInChI=1S/C16H23N/c1-3-13(2)17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h3-6,9-10,13,15-17H,1,7-8,11-12H2,2H3
InChIKeyOUNVSPQYQVCZSH-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.88
Rot. Bonds4

About N-but-3-en-2-yl-2-phenylcyclohexan-1-amine

N-but-3-en-2-yl-2-phenylcyclohexan-1-amine (PubChem CID 115908185) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-phenylcyclohexan-1-amine
PubChem CID115908185
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-but-3-en-2-yl-2-phenylcyclohexan-1-amine
SMILESC=CC(C)NC1CCCCC1c1ccccc1
InChIInChI=1S/C16H23N/c1-3-13(2)17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h3-6,9-10,13,15-17H,1,7-8,11-12H2,2H3
InChIKeyOUNVSPQYQVCZSH-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.88
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

methyl (2S)-3-methyl-2-[(2-phenylcyclohexyl)amino]butanoate
CID 43776131
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
3-[(2-phenylcyclohexyl)amino]pentan-1-ol
CID 115723129
N-octan-4-yl-2-phenylcyclohexan-1-amine
CID 106023658
N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine
CID 106227111
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632
N-(2,3-dimethylcyclopentyl)-2-phenylcyclohexan-1-amine
CID 64909961
2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
CID 43784317
cis-(1R,2R)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylcyclopentan-1-amine
CID 138056208

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-phenylcyclohexan-1-amine?
The IUPAC name of N-but-3-en-2-yl-2-phenylcyclohexan-1-amine (CID 115908185) is N-but-3-en-2-yl-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-but-3-en-2-yl-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-but-3-en-2-yl-2-phenylcyclohexan-1-amine is C=CC(C)NC1CCCCC1c1ccccc1.
What is the InChIKey of N-but-3-en-2-yl-2-phenylcyclohexan-1-amine?
The InChIKey is OUNVSPQYQVCZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-13(2)17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h3-6,9-10,13,15-17H,1,7-8,11-12H2,2H3.
What are the key properties of N-but-3-en-2-yl-2-phenylcyclohexan-1-amine?
N-but-3-en-2-yl-2-phenylcyclohexan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 115908185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).