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

C9H19N — CID 144901462

IUPACethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
SMILESC=C/C=C(\C=C)CN.CC.[H][H]
InChIInChI=1S/C7H11N.C2H6.H2/c1-3-5-7(4-2)6-8;1-2;/h3-5H,1-2,6,8H2;1-2H3;1H/b7-5+;;
InChIKeyLISGVKSBGXINSS-WVKUUHRJSA-N
MW141.26 g/mol
LogP2.52
Rot. Bonds3

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

ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen (PubChem CID 144901462) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
PubChem CID144901462
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
SMILESC=C/C=C(\C=C)CN.CC.[H][H]
InChIInChI=1S/C7H11N.C2H6.H2/c1-3-5-7(4-2)6-8;1-2;/h3-5H,1-2,6,8H2;1-2H3;1H/b7-5+;;
InChIKeyLISGVKSBGXINSS-WVKUUHRJSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
CID 142262554
(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
CID 153376117
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
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(E)-2-ethenylbut-2-en-1-amine
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ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(2E,4E)-2-ethenyl-5-methylhepta-2,4-dien-1-amine
CID 166720058
(5Z)-5-ethenyl-2-methylocta-5,7-dien-1-amine
CID 134400841
(4Z)-2-amino-4-ethenylhepta-4,6-dienal;ethane
CID 142945417
(3E)-3-(iodomethyl)hexa-1,3,5-triene
CID 142115416

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen?
The IUPAC name of ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen (CID 144901462) is ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen?
The canonical SMILES for ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen is C=C/C=C(\C=C)CN.CC.[H][H].
What is the InChIKey of ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen?
The InChIKey is LISGVKSBGXINSS-WVKUUHRJSA-N. The full InChI is InChI=1S/C7H11N.C2H6.H2/c1-3-5-7(4-2)6-8;1-2;/h3-5H,1-2,6,8H2;1-2H3;1H/b7-5+;;.
What are the key properties of ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen?
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen has a molecular weight of 141.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen is sourced from PubChem (CID 144901462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).