N-(2-methylcyclohexyl)-3-propan-2-ylaniline

C16H25N — CID 43101451

IUPACN-(2-methylcyclohexyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NC2CCCCC2C)c1
InChIInChI=1S/C16H25N/c1-12(2)14-8-6-9-15(11-14)17-16-10-5-4-7-13(16)3/h6,8-9,11-13,16-17H,4-5,7,10H2,1-3H3
InChIKeyIMFKVWVVPAZCNS-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.80
Rot. Bonds3

About N-(2-methylcyclohexyl)-3-propan-2-ylaniline

N-(2-methylcyclohexyl)-3-propan-2-ylaniline (PubChem CID 43101451) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-propan-2-ylaniline
PubChem CID43101451
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(2-methylcyclohexyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NC2CCCCC2C)c1
InChIInChI=1S/C16H25N/c1-12(2)14-8-6-9-15(11-14)17-16-10-5-4-7-13(16)3/h6,8-9,11-13,16-17H,4-5,7,10H2,1-3H3
InChIKeyIMFKVWVVPAZCNS-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
CID 102730989
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-(2-methylcyclohexyl)-3-methylsulfanylaniline
CID 43105027
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418181
N-(3-propan-2-ylphenyl)azepan-4-amine
CID 113361401
N-(3-propan-2-ylphenyl)oxepan-4-amine
CID 65076670

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-propan-2-ylaniline?
The IUPAC name of N-(2-methylcyclohexyl)-3-propan-2-ylaniline (CID 43101451) is N-(2-methylcyclohexyl)-3-propan-2-ylaniline.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-propan-2-ylaniline?
The canonical SMILES for N-(2-methylcyclohexyl)-3-propan-2-ylaniline is CC(C)c1cccc(NC2CCCCC2C)c1.
What is the InChIKey of N-(2-methylcyclohexyl)-3-propan-2-ylaniline?
The InChIKey is IMFKVWVVPAZCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)14-8-6-9-15(11-14)17-16-10-5-4-7-13(16)3/h6,8-9,11-13,16-17H,4-5,7,10H2,1-3H3.
What are the key properties of N-(2-methylcyclohexyl)-3-propan-2-ylaniline?
N-(2-methylcyclohexyl)-3-propan-2-ylaniline has a molecular weight of 231.38 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-propan-2-ylaniline is sourced from PubChem (CID 43101451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).