2-butyl-4-phenyl-N-propylcyclohexan-1-amine

C19H31N — CID 63401101

IUPAC2-butyl-4-phenyl-N-propylcyclohexan-1-amine
SMILESCCCCC1CC(c2ccccc2)CCC1NCCC
InChIInChI=1S/C19H31N/c1-3-5-9-18-15-17(16-10-7-6-8-11-16)12-13-19(18)20-14-4-2/h6-8,10-11,17-20H,3-5,9,12-15H2,1-2H3
InChIKeyHAJASFPRXCQEFC-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.13
Rot. Bonds7

About 2-butyl-4-phenyl-N-propylcyclohexan-1-amine

2-butyl-4-phenyl-N-propylcyclohexan-1-amine (PubChem CID 63401101) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-butyl-4-phenyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-butyl-4-phenyl-N-propylcyclohexan-1-amine
PubChem CID63401101
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-butyl-4-phenyl-N-propylcyclohexan-1-amine
SMILESCCCCC1CC(c2ccccc2)CCC1NCCC
InChIInChI=1S/C19H31N/c1-3-5-9-18-15-17(16-10-7-6-8-11-16)12-13-19(18)20-14-4-2/h6-8,10-11,17-20H,3-5,9,12-15H2,1-2H3
InChIKeyHAJASFPRXCQEFC-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-phenyl-2-propylcyclohexan-1-amine
CID 55185589
N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine
CID 104648371
2-ethylsulfinyl-4-phenyl-N-propylcyclohexan-1-amine
CID 64651096
4-phenyl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64633246
2-octyl-4-phenylcyclohexan-1-ol
CID 63461451
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
CID 62937483
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417285
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
(3-methylcyclopentyl)benzene;propane
CID 142973096

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-phenyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-butyl-4-phenyl-N-propylcyclohexan-1-amine (CID 63401101) is 2-butyl-4-phenyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-butyl-4-phenyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-butyl-4-phenyl-N-propylcyclohexan-1-amine is CCCCC1CC(c2ccccc2)CCC1NCCC.
What is the InChIKey of 2-butyl-4-phenyl-N-propylcyclohexan-1-amine?
The InChIKey is HAJASFPRXCQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-9-18-15-17(16-10-7-6-8-11-16)12-13-19(18)20-14-4-2/h6-8,10-11,17-20H,3-5,9,12-15H2,1-2H3.
What are the key properties of 2-butyl-4-phenyl-N-propylcyclohexan-1-amine?
2-butyl-4-phenyl-N-propylcyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-phenyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63401101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).