4-butyl-N-(3-methylcyclohexyl)aniline

C17H27N — CID 43103232

IUPAC4-butyl-N-(3-methylcyclohexyl)aniline
SMILESCCCCc1ccc(NC2CCCC(C)C2)cc1
InChIInChI=1S/C17H27N/c1-3-4-7-15-9-11-16(12-10-15)18-17-8-5-6-14(2)13-17/h9-12,14,17-18H,3-8,13H2,1-2H3
InChIKeyXECSRUVXNXFXNO-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.02
Rot. Bonds5

About 4-butyl-N-(3-methylcyclohexyl)aniline

4-butyl-N-(3-methylcyclohexyl)aniline (PubChem CID 43103232) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-butyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(3-methylcyclohexyl)aniline
PubChem CID43103232
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-butyl-N-(3-methylcyclohexyl)aniline
SMILESCCCCc1ccc(NC2CCCC(C)C2)cc1
InChIInChI=1S/C17H27N/c1-3-4-7-15-9-11-16(12-10-15)18-17-8-5-6-14(2)13-17/h9-12,14,17-18H,3-8,13H2,1-2H3
InChIKeyXECSRUVXNXFXNO-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butylphenyl)-4-ethylcycloheptan-1-amine
CID 65082977
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
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4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
N-(2,5-dimethylcyclohexyl)-4-pentylaniline
CID 64776176
N-(4-butylphenyl)-5-methylthiolan-3-amine
CID 79942068
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
N-(4-pentylphenyl)oxepan-4-amine
CID 65076671
N-[(4-butylphenyl)methyl]cyclobutanamine
CID 98783334
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)aniline
CID 115744190
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772
N-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43769074
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-butyl-N-(3-methylcyclohexyl)aniline (CID 43103232) is 4-butyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-butyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-butyl-N-(3-methylcyclohexyl)aniline is CCCCc1ccc(NC2CCCC(C)C2)cc1.
What is the InChIKey of 4-butyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is XECSRUVXNXFXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-4-7-15-9-11-16(12-10-15)18-17-8-5-6-14(2)13-17/h9-12,14,17-18H,3-8,13H2,1-2H3.
What are the key properties of 4-butyl-N-(3-methylcyclohexyl)aniline?
4-butyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 245.41 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43103232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).