2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine

C9H11N — CID 162268254

IUPAC2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine
SMILESC#CC(=C)C=C(C=C)CN
InChIInChI=1S/C9H11N/c1-4-8(3)6-9(5-2)7-10/h1,5-6H,2-3,7,10H2
InChIKeyGJPRDLDBEGCPGE-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.25
Rot. Bonds3

About 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine

2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine (PubChem CID 162268254) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine.

Molecular Properties

Compound Name2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine
PubChem CID162268254
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine
SMILESC#CC(=C)C=C(C=C)CN
InChIInChI=1S/C9H11N/c1-4-8(3)6-9(5-2)7-10/h1,5-6H,2-3,7,10H2
InChIKeyGJPRDLDBEGCPGE-UHFFFAOYSA-N
XLogP1.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.25
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

(E)-2-ethenylbut-2-en-1-amine
CID 142131613
acetylene;(2E)-2-ethenylpenta-2,4-dien-1-amine
CID 142262554
(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular nitrogen
CID 153376117
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
CID 155051577
ethane;(2E)-2-ethenylpenta-2,4-dien-1-amine;molecular hydrogen
CID 144901462
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
butane;2-methylbut-1-en-3-yne
CID 145419919
(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
ethane;(3Z)-2-methyl-5-methylidenehepta-1,3-dien-6-yne
CID 153401729
(3E)-2-methylidene-4-[[[(1Z,3Z)-penta-1,3-dienyl]amino]methyl]hexa-3,5-dienenitrile
CID 144648972

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine?
The IUPAC name of 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine (CID 162268254) is 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine.
What is the SMILES notation for 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine?
The canonical SMILES for 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine is C#CC(=C)C=C(C=C)CN.
What is the InChIKey of 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine?
The InChIKey is GJPRDLDBEGCPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-4-8(3)6-9(5-2)7-10/h1,5-6H,2-3,7,10H2.
What are the key properties of 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine?
2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine has a molecular weight of 133.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine is sourced from PubChem (CID 162268254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).