N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline

C17H28N2 — CID 59230557

IUPACN-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
SMILESCC(C)(C)c1ccc(NCC2CCC(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-17(2,3)14-6-10-16(11-7-14)19-12-13-4-8-15(18)9-5-13/h6-7,10-11,13,15,19H,4-5,8-9,12,18H2,1-3H3
InChIKeyIUNVJESEQXWHMT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.91
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline

N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline (PubChem CID 59230557) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
PubChem CID59230557
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
SMILESCC(C)(C)c1ccc(NCC2CCC(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-17(2,3)14-6-10-16(11-7-14)19-12-13-4-8-15(18)9-5-13/h6-7,10-11,13,15,19H,4-5,8-9,12,18H2,1-3H3
InChIKeyIUNVJESEQXWHMT-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline 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-[(4-aminocyclohexyl)methylamino]benzenethiol
CID 59230358
1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 59230186
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
CID 59230003
N-[(4-aminocyclohexyl)methyl]-4-butylaniline
CID 59549626
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
CID 59230810
N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline
CID 59231472
N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline
CID 59231299
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine
CID 59229868
4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
CID 53249942
N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide
CID 59230846

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline (CID 59230557) is N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline is CC(C)(C)c1ccc(NCC2CCC(N)CC2)cc1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline?
The InChIKey is IUNVJESEQXWHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)14-6-10-16(11-7-14)19-12-13-4-8-15(18)9-5-13/h6-7,10-11,13,15,19H,4-5,8-9,12,18H2,1-3H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline?
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline is sourced from PubChem (CID 59230557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).