4-[(E)-hex-4-enyl]benzene-1,3-diamine

C12H18N2 — CID 173339882

IUPAC4-[(E)-hex-4-enyl]benzene-1,3-diamine
SMILESC/C=C/CCCc1ccc(N)cc1N
InChIInChI=1S/C12H18N2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h2-3,7-9H,4-6,13-14H2,1H3/b3-2+
InChIKeyHKHXRCQORHWUSU-NSCUHMNNSA-N
MW190.29 g/mol
LogP2.75
Rot. Bonds4

About 4-[(E)-hex-4-enyl]benzene-1,3-diamine

4-[(E)-hex-4-enyl]benzene-1,3-diamine (PubChem CID 173339882) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-[(E)-hex-4-enyl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[(E)-hex-4-enyl]benzene-1,3-diamine
PubChem CID173339882
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-[(E)-hex-4-enyl]benzene-1,3-diamine
SMILESC/C=C/CCCc1ccc(N)cc1N
InChIInChI=1S/C12H18N2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h2-3,7-9H,4-6,13-14H2,1H3/b3-2+
InChIKeyHKHXRCQORHWUSU-NSCUHMNNSA-N
XLogP2.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-diaminophenyl)propane-1-thiol
CID 57273820
5-(2,4-diaminophenyl)pentyl prop-2-enoate
CID 141309380
4-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,3-diamine
CID 158797248
4-[(E)-hex-4-enyl]-6-methylbenzene-1,3-diol
CID 155552776
4-(2-phenylethyl)benzene-1,3-diamine;dihydrochloride
CID 68567088
4-[3-[1-(2,4-diaminophenyl)octan-3-yloxy]octyl]benzene-1,3-diamine
CID 150528199
4-[3-[1-(2,4-diaminophenyl)hexan-3-yloxy]hexyl]benzene-1,3-diamine
CID 150262109
5-ethyl-2-hexylaniline
CID 22065589
3-(2-aminoethyl)-4-methylaniline
CID 83384141
4-fluoro-3-[3-(methylamino)propyl]aniline
CID 84658598
4-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 21398319
4-[[4-[2-[4-[(4-amino-2-butylphenyl)methyl]phenyl]ethyl]phenyl]methyl]-3-butylaniline
CID 22920306

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hex-4-enyl]benzene-1,3-diamine?
The IUPAC name of 4-[(E)-hex-4-enyl]benzene-1,3-diamine (CID 173339882) is 4-[(E)-hex-4-enyl]benzene-1,3-diamine.
What is the SMILES notation for 4-[(E)-hex-4-enyl]benzene-1,3-diamine?
The canonical SMILES for 4-[(E)-hex-4-enyl]benzene-1,3-diamine is C/C=C/CCCc1ccc(N)cc1N.
What is the InChIKey of 4-[(E)-hex-4-enyl]benzene-1,3-diamine?
The InChIKey is HKHXRCQORHWUSU-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h2-3,7-9H,4-6,13-14H2,1H3/b3-2+.
What are the key properties of 4-[(E)-hex-4-enyl]benzene-1,3-diamine?
4-[(E)-hex-4-enyl]benzene-1,3-diamine has a molecular weight of 190.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hex-4-enyl]benzene-1,3-diamine is sourced from PubChem (CID 173339882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).