N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline

C17H28N2 — CID 115213393

IUPACN-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline
SMILESCc1cc(C)c(N(C)CC2CCC(N)CC2)cc1C
InChIInChI=1S/C17H28N2/c1-12-9-14(3)17(10-13(12)2)19(4)11-15-5-7-16(18)8-6-15/h9-10,15-16H,5-8,11,18H2,1-4H3
InChIKeyXJANATAORPDIKC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.57
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline

N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline (PubChem CID 115213393) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline
PubChem CID115213393
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline
SMILESCc1cc(C)c(N(C)CC2CCC(N)CC2)cc1C
InChIInChI=1S/C17H28N2/c1-12-9-14(3)17(10-13(12)2)19(4)11-15-5-7-16(18)8-6-15/h9-10,15-16H,5-8,11,18H2,1-4H3
InChIKeyXJANATAORPDIKC-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline 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

N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
3-N-(cyclohexylmethyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 62589993
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895
N-[(4-aminocyclohexyl)methyl]-2-fluoro-4-iodo-N-methylaniline
CID 58437592
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
4-bromo-2-N-(cyclopropylmethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735579
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 115213466
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine
CID 58437743
N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 115213903
N-[(3-aminocyclopentyl)methyl]-N-methylaniline
CID 66008204

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline (CID 115213393) is N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline is Cc1cc(C)c(N(C)CC2CCC(N)CC2)cc1C.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline?
The InChIKey is XJANATAORPDIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-9-14(3)17(10-13(12)2)19(4)11-15-5-7-16(18)8-6-15/h9-10,15-16H,5-8,11,18H2,1-4H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline?
N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-N,2,4,5-tetramethylaniline is sourced from PubChem (CID 115213393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).