(3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine

C9H14N2 — CID 163766280

IUPAC(3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine
SMILESC=CC(=C/C)/C=C(/N)C(=C)N
InChIInChI=1S/C9H14N2/c1-4-8(5-2)6-9(11)7(3)10/h4-6H,1,3,10-11H2,2H3/b8-5-,9-6+
InChIKeyMCOCAXTXQATXTD-LDFAFZTOSA-N
MW150.22 g/mol
LogP1.43
Rot. Bonds3

About (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine

(3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine (PubChem CID 163766280) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine.

Molecular Properties

Compound Name(3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine
PubChem CID163766280
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine
SMILESC=CC(=C/C)/C=C(/N)C(=C)N
InChIInChI=1S/C9H14N2/c1-4-8(5-2)6-9(11)7(3)10/h4-6H,1,3,10-11H2,2H3/b8-5-,9-6+
InChIKeyMCOCAXTXQATXTD-LDFAFZTOSA-N
XLogP1.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethene;(2E,4E)-4-ethenylhexa-2,4-dien-2-amine
CID 142131627
(2Z,4Z)-4-ethenylhexa-2,4-diene-1,2-diamine
CID 146360770
(3Z,4E)-3-ethylidene-5,6,6-trimethylhepta-1,4-diene
CID 153392507
prop-2-enamide iodide
CID 19796963
(3Z,5Z)-5-ethenyl-2-methylhepta-1,3,5-triene
CID 142327747
(3Z,5E)-5-chloro-3-ethenylhepta-1,3,5-trien-2-amine
CID 144617687
dimethyl (2E)-2-[(Z)-2-ethenylbut-2-enylidene]-3-methylidenebutanedioate
CID 142221710
methanamine;prop-2-enamide;hydrate
CID 174696935
ethene-1,1-diol;prop-2-enamide
CID 174658864
acetamide;prop-2-enamide
CID 158566181
3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
CID 143522614
(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-amine
CID 142809579

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine?
The IUPAC name of (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine (CID 163766280) is (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine.
What is the SMILES notation for (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine?
The canonical SMILES for (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine is C=CC(=C/C)/C=C(/N)C(=C)N.
What is the InChIKey of (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine?
The InChIKey is MCOCAXTXQATXTD-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8(5-2)6-9(11)7(3)10/h4-6H,1,3,10-11H2,2H3/b8-5-,9-6+.
What are the key properties of (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine?
(3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-ethenylhepta-1,3,5-triene-2,3-diamine is sourced from PubChem (CID 163766280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).