(3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine

C9H11N — CID 145179065

IUPAC(3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine
SMILESC=C(N)/C=C\C(=C)C#CC
InChIInChI=1S/C9H11N/c1-4-5-8(2)6-7-9(3)10/h6-7H,2-3,10H2,1H3/b7-6-
InChIKeyLQISWJHQYVWIRB-SREVYHEPSA-N
MW133.19 g/mol
LogP1.59
Rot. Bonds2

About (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine

(3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine (PubChem CID 145179065) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine.

Molecular Properties

Compound Name(3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine
PubChem CID145179065
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine
SMILESC=C(N)/C=C\C(=C)C#CC
InChIInChI=1S/C9H11N/c1-4-5-8(2)6-7-9(3)10/h6-7H,2-3,10H2,1H3/b7-6-
InChIKeyLQISWJHQYVWIRB-SREVYHEPSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.59
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

(Z)-3,6-dimethylidenenon-4-en-7-ynoic acid
CID 143449145
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(3Z)-5-chlorohexa-1,3,5-trien-2-amine
CID 134351965
(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one
CID 134431459
(3E)-5-methylidene-3-(trifluoromethyl)octa-1,3-dien-6-yne
CID 144911780
(3Z)-5-methylhexa-1,3-diene-2,5-diamine
CID 163565471
(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine
CID 166686108
(3Z,8Z)-10-methyl-5,7-dimethylideneundeca-1,3,8,10-tetraen-2-amine;molecular hydrogen
CID 143076297
(3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne
CID 145154524
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 142405932
N'-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ynimidamide
CID 88901115

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine?
The IUPAC name of (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine (CID 145179065) is (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine.
What is the SMILES notation for (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine?
The canonical SMILES for (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine is C=C(N)/C=C\C(=C)C#CC.
What is the InChIKey of (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine?
The InChIKey is LQISWJHQYVWIRB-SREVYHEPSA-N. The full InChI is InChI=1S/C9H11N/c1-4-5-8(2)6-7-9(3)10/h6-7H,2-3,10H2,1H3/b7-6-.
What are the key properties of (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine?
(3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine has a molecular weight of 133.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine is sourced from PubChem (CID 145179065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).