1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C15H25N3 — CID 59230186

IUPAC1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCC2CCC(N)CC2)cc1
InChIInChI=1S/C15H25N3/c1-18(2)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h7-10,12-13,17H,3-6,11,16H2,1-2H3
InChIKeyKSVFWIKKNLKBHX-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.68
Rot. Bonds4

About 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 59230186) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID59230186
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCC2CCC(N)CC2)cc1
InChIInChI=1S/C15H25N3/c1-18(2)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h7-10,12-13,17H,3-6,11,16H2,1-2H3
InChIKeyKSVFWIKKNLKBHX-UHFFFAOYSA-N
XLogP2.68
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 79708402
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
4-[(4-aminocyclohexyl)methylamino]benzenethiol
CID 59230358
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
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine
CID 59229868
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
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 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 59230186) is 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NCC2CCC(N)CC2)cc1.
What is the InChIKey of 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is KSVFWIKKNLKBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-18(2)15-9-7-14(8-10-15)17-11-12-3-5-13(16)6-4-12/h7-10,12-13,17H,3-6,11,16H2,1-2H3.
What are the key properties of 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 59230186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).