ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine

C11H19N — CID 143072241

IUPACethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine
SMILESC=C(C)/C=C\C(=C)C(=C)N.CC
InChIInChI=1S/C9H13N.C2H6/c1-7(2)5-6-8(3)9(4)10;1-2/h5-6H,1,3-4,10H2,2H3;1-2H3/b6-5-;
InChIKeyVLOOUZIGJVNQNZ-YSMBQZINSA-N
MW165.28 g/mol
LogP3.17
Rot. Bonds3

About ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine

ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine (PubChem CID 143072241) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine.

Molecular Properties

Compound Nameethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine
PubChem CID143072241
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Nameethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine
SMILESC=C(C)/C=C\C(=C)C(=C)N.CC
InChIInChI=1S/C9H13N.C2H6/c1-7(2)5-6-8(3)9(4)10;1-2/h5-6H,1,3-4,10H2,2H3;1-2H3/b6-5-;
InChIKeyVLOOUZIGJVNQNZ-YSMBQZINSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.17
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

2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z)-5-methylhexa-1,3,5-trien-2-amine
CID 87058792
(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
CID 143933748
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,6E)-2,8-dimethyl-5-methylidenenona-1,3,6,8-tetraene;ethane;molecular hydrogen
CID 144794345
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine?
The IUPAC name of ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine (CID 143072241) is ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine.
What is the SMILES notation for ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine?
The canonical SMILES for ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine is C=C(C)/C=C\C(=C)C(=C)N.CC.
What is the InChIKey of ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine?
The InChIKey is VLOOUZIGJVNQNZ-YSMBQZINSA-N. The full InChI is InChI=1S/C9H13N.C2H6/c1-7(2)5-6-8(3)9(4)10;1-2/h5-6H,1,3-4,10H2,2H3;1-2H3/b6-5-;.
What are the key properties of ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine?
ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine has a molecular weight of 165.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine is sourced from PubChem (CID 143072241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).