4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline

C19H32N2 — CID 63815146

IUPAC4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
SMILESCCC(N)Cc1ccc(N(C)C2CCC(C)CC2)cc1C
InChIInChI=1S/C19H32N2/c1-5-17(20)13-16-8-11-19(12-15(16)3)21(4)18-9-6-14(2)7-10-18/h8,11-12,14,17-18H,5-7,9-10,13,20H2,1-4H3
InChIKeyFTYPGCQFZBKJSZ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.29
Rot. Bonds5

About 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline

4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline (PubChem CID 63815146) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
PubChem CID63815146
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
SMILESCCC(N)Cc1ccc(N(C)C2CCC(C)CC2)cc1C
InChIInChI=1S/C19H32N2/c1-5-17(20)13-16-8-11-19(12-15(16)3)21(4)18-9-6-14(2)7-10-18/h8,11-12,14,17-18H,5-7,9-10,13,20H2,1-4H3
InChIKeyFTYPGCQFZBKJSZ-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 63815618
4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63786709
4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
CID 63786915
4-(2-aminobutyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795900
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
4-(2-aminobutyl)-N,3-dimethyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115988039
4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 55236025
4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline
CID 63783720
4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 62136395
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793962
4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 63786963

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline (CID 63815146) is 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline is CCC(N)Cc1ccc(N(C)C2CCC(C)CC2)cc1C.
What is the InChIKey of 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline?
The InChIKey is FTYPGCQFZBKJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-17(20)13-16-8-11-19(12-15(16)3)21(4)18-9-6-14(2)7-10-18/h8,11-12,14,17-18H,5-7,9-10,13,20H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline?
4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline has a molecular weight of 288.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 63815146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).