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

C9H13N — CID 142262554

IUPACacetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
SMILESC#C.C=C/C=C(\C=C)CN
InChIInChI=1S/C7H11N.C2H2/c1-3-5-7(4-2)6-8;1-2/h3-5H,1-2,6,8H2;1-2H/b7-5+;
InChIKeyOJSBWXBZWMUFAD-GZOLSCHFSA-N
MW135.21 g/mol
LogP1.49
Rot. Bonds3

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

acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine (PubChem CID 142262554) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Nameacetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
PubChem CID142262554
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Nameacetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
SMILESC#C.C=C/C=C(\C=C)CN
InChIInChI=1S/C7H11N.C2H2/c1-3-5-7(4-2)6-8;1-2/h3-5H,1-2,6,8H2;1-2H/b7-5+;
InChIKeyOJSBWXBZWMUFAD-GZOLSCHFSA-N
XLogP1.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
CID 153376117
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 acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine?
The IUPAC name of acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine (CID 142262554) is acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine.
What is the SMILES notation for acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine?
The canonical SMILES for acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine is C#C.C=C/C=C(\C=C)CN.
What is the InChIKey of acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine?
The InChIKey is OJSBWXBZWMUFAD-GZOLSCHFSA-N. The full InChI is InChI=1S/C7H11N.C2H2/c1-3-5-7(4-2)6-8;1-2/h3-5H,1-2,6,8H2;1-2H/b7-5+;.
What are the key properties of acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine?
acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine is sourced from PubChem (CID 142262554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).