(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen

C7H11N3 — CID 153376117

IUPAC(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
SMILESC=C/C=C(\C=C)CN.N#N
InChIInChI=1S/C7H11N.N2/c1-3-5-7(4-2)6-8;1-2/h3-5H,1-2,6,8H2;/b7-5+;
InChIKeyVOJHYNMUXLXVKY-GZOLSCHFSA-N
MW137.19 g/mol
LogP1.27
Rot. Bonds3

About (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen

(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen (PubChem CID 153376117) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen.

Molecular Properties

Compound Name(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
PubChem CID153376117
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
SMILESC=C/C=C(\C=C)CN.N#N
InChIInChI=1S/C7H11N.N2/c1-3-5-7(4-2)6-8;1-2/h3-5H,1-2,6,8H2;/b7-5+;
InChIKeyVOJHYNMUXLXVKY-GZOLSCHFSA-N
XLogP1.27
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
CID 142262554
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
CID 144901462
(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
CID 155051577
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(2E,4E)-2-ethenyl-5-methylhepta-2,4-dien-1-amine
CID 166720058
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E)-3-(iodomethyl)hexa-1,3,5-triene
CID 142115416
(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine
CID 134400841

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen?
The IUPAC name of (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen (CID 153376117) is (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen.
What is the SMILES notation for (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen?
The canonical SMILES for (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen is C=C/C=C(\C=C)CN.N#N.
What is the InChIKey of (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen?
The InChIKey is VOJHYNMUXLXVKY-GZOLSCHFSA-N. The full InChI is InChI=1S/C7H11N.N2/c1-3-5-7(4-2)6-8;1-2/h3-5H,1-2,6,8H2;/b7-5+;.
What are the key properties of (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen?
(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen has a molecular weight of 137.19 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen is sourced from PubChem (CID 153376117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).