4-N-hex-5-en-2-ylbenzene-1,4-diamine

C12H18N2 — CID 70292909

IUPAC4-N-hex-5-en-2-ylbenzene-1,4-diamine
SMILESC=CCCC(C)Nc1ccc(N)cc1
InChIInChI=1S/C12H18N2/c1-3-4-5-10(2)14-12-8-6-11(13)7-9-12/h3,6-10,14H,1,4-5,13H2,2H3
InChIKeyIUTDBMJGWANAIZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.04
Rot. Bonds5

About 4-N-hex-5-en-2-ylbenzene-1,4-diamine

4-N-hex-5-en-2-ylbenzene-1,4-diamine (PubChem CID 70292909) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-N-hex-5-en-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-hex-5-en-2-ylbenzene-1,4-diamine
PubChem CID70292909
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-N-hex-5-en-2-ylbenzene-1,4-diamine
SMILESC=CCCC(C)Nc1ccc(N)cc1
InChIInChI=1S/C12H18N2/c1-3-4-5-10(2)14-12-8-6-11(13)7-9-12/h3,6-10,14H,1,4-5,13H2,2H3
InChIKeyIUTDBMJGWANAIZ-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-hex-5-en-2-yl-4-methylaniline
CID 75525041
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
CID 61469616
propan-2-yl 4-(hex-5-en-2-ylamino)benzoate
CID 104655452
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724
5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one
CID 104655651
N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline
CID 113437865
3,4,5-trifluoro-N-hex-5-en-2-ylaniline
CID 104655698
3-(hex-5-en-2-ylamino)benzamide
CID 104584057
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
CID 107270538
N-hex-5-en-2-yl-1-benzothiophen-5-amine
CID 104655467

Frequently Asked Questions

What is the IUPAC name of 4-N-hex-5-en-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-hex-5-en-2-ylbenzene-1,4-diamine (CID 70292909) is 4-N-hex-5-en-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-hex-5-en-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-hex-5-en-2-ylbenzene-1,4-diamine is C=CCCC(C)Nc1ccc(N)cc1.
What is the InChIKey of 4-N-hex-5-en-2-ylbenzene-1,4-diamine?
The InChIKey is IUTDBMJGWANAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-4-5-10(2)14-12-8-6-11(13)7-9-12/h3,6-10,14H,1,4-5,13H2,2H3.
What are the key properties of 4-N-hex-5-en-2-ylbenzene-1,4-diamine?
4-N-hex-5-en-2-ylbenzene-1,4-diamine has a molecular weight of 190.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hex-5-en-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 70292909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).