N-(4-phenylbutan-2-yl)cyclohexanamine

C16H25N — CID 10633307

IUPACN-(4-phenylbutan-2-yl)cyclohexanamine
SMILESCC(CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H25N/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-17H,3,6-7,10-13H2,1H3
InChIKeyDLMNKUZSXJGHLE-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.93
Rot. Bonds5

About N-(4-phenylbutan-2-yl)cyclohexanamine

N-(4-phenylbutan-2-yl)cyclohexanamine (PubChem CID 10633307) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)cyclohexanamine
PubChem CID10633307
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(4-phenylbutan-2-yl)cyclohexanamine
SMILESCC(CCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C16H25N/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-17H,3,6-7,10-13H2,1H3
InChIKeyDLMNKUZSXJGHLE-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
CID 43511639
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
N-[(2R)-4-(1-methylpyrrol-2-yl)butan-2-yl]cyclohexanamine
CID 97323045
2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
CID 43746850
1-methyl-5-(4-phenylbutan-2-ylamino)piperidin-2-one
CID 64654292

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)cyclohexanamine?
The IUPAC name of N-(4-phenylbutan-2-yl)cyclohexanamine (CID 10633307) is N-(4-phenylbutan-2-yl)cyclohexanamine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)cyclohexanamine?
The canonical SMILES for N-(4-phenylbutan-2-yl)cyclohexanamine is CC(CCc1ccccc1)NC1CCCCC1.
What is the InChIKey of N-(4-phenylbutan-2-yl)cyclohexanamine?
The InChIKey is DLMNKUZSXJGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16-17H,3,6-7,10-13H2,1H3.
What are the key properties of N-(4-phenylbutan-2-yl)cyclohexanamine?
N-(4-phenylbutan-2-yl)cyclohexanamine has a molecular weight of 231.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)cyclohexanamine is sourced from PubChem (CID 10633307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).