1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine

C17H25N3 — CID 167132374

IUPAC1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine
SMILESC=CNC1CCCC(Nc2ccc(NC(=C)C)cc2)C1
InChIInChI=1S/C17H25N3/c1-4-18-16-6-5-7-17(12-16)20-15-10-8-14(9-11-15)19-13(2)3/h4,8-11,16-20H,1-2,5-7,12H2,3H3
InChIKeyALKCDEZJTMEAQN-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.09
Rot. Bonds6

About 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine

1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine (PubChem CID 167132374) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine
PubChem CID167132374
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine
SMILESC=CNC1CCCC(Nc2ccc(NC(=C)C)cc2)C1
InChIInChI=1S/C17H25N3/c1-4-18-16-6-5-7-17(12-16)20-15-10-8-14(9-11-15)19-13(2)3/h4,8-11,16-20H,1-2,5-7,12H2,3H3
InChIKeyALKCDEZJTMEAQN-UHFFFAOYSA-N
XLogP4.09
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine 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

1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine
CID 134219544
tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
CID 113247856
4-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 43317797
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
4-tert-butyl-N-(3-methylcyclohexyl)aniline
CID 43099749
4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64758814
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
CID 114468269
1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea
CID 64501930
2-methoxy-N-[4-[(3-methoxycyclohexyl)amino]phenyl]acetamide
CID 106871777
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
N-[4-[(3-methylcyclobutyl)amino]phenyl]cyclopropanecarboxamide
CID 104860025

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine (CID 167132374) is 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine is C=CNC1CCCC(Nc2ccc(NC(=C)C)cc2)C1.
What is the InChIKey of 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine?
The InChIKey is ALKCDEZJTMEAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-18-16-6-5-7-17(12-16)20-15-10-8-14(9-11-15)19-13(2)3/h4,8-11,16-20H,1-2,5-7,12H2,3H3.
What are the key properties of 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine?
1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine has a molecular weight of 271.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(ethenylamino)cyclohexyl]-4-N-prop-1-en-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 167132374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).