N-(2-methylbutyl)-4-phenylcyclohexan-1-amine

C17H27N — CID 43673843

IUPACN-(2-methylbutyl)-4-phenylcyclohexan-1-amine
SMILESCCC(C)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-3-14(2)13-18-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13H2,1-2H3
InChIKeyYUMAMAGXXPGAAG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.35
Rot. Bonds5

About N-(2-methylbutyl)-4-phenylcyclohexan-1-amine

N-(2-methylbutyl)-4-phenylcyclohexan-1-amine (PubChem CID 43673843) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2-methylbutyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-4-phenylcyclohexan-1-amine
PubChem CID43673843
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(2-methylbutyl)-4-phenylcyclohexan-1-amine
SMILESCCC(C)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-3-14(2)13-18-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13H2,1-2H3
InChIKeyYUMAMAGXXPGAAG-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile
CID 62647435
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
N-(2-methylbutyl)cyclopentanamine
CID 43200714
N-but-2-ynyl-4-phenylcyclohexan-1-amine
CID 115896951
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
cyclopropylbenzene;ethylhydrazine
CID 22346635
N-pent-1-yn-3-yl-4-phenylcyclohexan-1-amine
CID 106224805
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-(2-methylbutyl)-4-phenylcyclohexan-1-amine (CID 43673843) is N-(2-methylbutyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(2-methylbutyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-(2-methylbutyl)-4-phenylcyclohexan-1-amine is CCC(C)CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(2-methylbutyl)-4-phenylcyclohexan-1-amine?
The InChIKey is YUMAMAGXXPGAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-14(2)13-18-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,14,16-18H,3,9-13H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-4-phenylcyclohexan-1-amine?
N-(2-methylbutyl)-4-phenylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 43673843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).