acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen

C11H21N3 — CID 142271577

IUPACacetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen
SMILESC=C/C=C(\C=C)CNC(=C)N.CC#N.[H][H].[H][H]
InChIInChI=1S/C9H14N2.C2H3N.2H2/c1-4-6-9(5-2)7-11-8(3)10;1-2-3;;/h4-6,11H,1-3,7,10H2;1H3;2*1H/b9-6+;;;
InChIKeyKTHXVRLLMUFHKG-HCRDSFAKSA-N
MW195.31 g/mol
LogP2.33
Rot. Bonds5

About acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen

acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen (PubChem CID 142271577) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen.

Molecular Properties

Compound Nameacetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen
PubChem CID142271577
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Nameacetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen
SMILESC=C/C=C(\C=C)CNC(=C)N.CC#N.[H][H].[H][H]
InChIInChI=1S/C9H14N2.C2H3N.2H2/c1-4-6-9(5-2)7-11-8(3)10;1-2-3;;/h4-6,11H,1-3,7,10H2;1H3;2*1H/b9-6+;;;
InChIKeyKTHXVRLLMUFHKG-HCRDSFAKSA-N
XLogP2.33
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
CID 142264688
N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
CID 143081819
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
CID 144901462
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839
(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
CID 153376117
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine
CID 142463090
ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 156724431
(2E)-N-(1,1-dimethoxypropan-2-yl)-2-ethenylpenta-2,4-dien-1-amine
CID 143978564
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen?
The IUPAC name of acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen (CID 142271577) is acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen.
What is the SMILES notation for acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen?
The canonical SMILES for acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen is C=C/C=C(\C=C)CNC(=C)N.CC#N.[H][H].[H][H].
What is the InChIKey of acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen?
The InChIKey is KTHXVRLLMUFHKG-HCRDSFAKSA-N. The full InChI is InChI=1S/C9H14N2.C2H3N.2H2/c1-4-6-9(5-2)7-11-8(3)10;1-2-3;;/h4-6,11H,1-3,7,10H2;1H3;2*1H/b9-6+;;;.
What are the key properties of acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen?
acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen has a molecular weight of 195.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-N'-[(2E)-2-ethenylpenta-2,4-dienyl]ethene-1,1-diamine;molecular hydrogen is sourced from PubChem (CID 142271577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).