ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine

C10H17N — CID 145093627

IUPACethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine
SMILESCC.[H]/N=C(/C=C\C=C)C(=C)C
InChIInChI=1S/C8H11N.C2H6/c1-4-5-6-8(9)7(2)3;1-2/h4-6,9H,1-2H2,3H3;1-2H3/b6-5-,9-8-;
InChIKeyYUORFXNOGQGYFB-YYYWGHDMSA-N
MW151.25 g/mol
LogP3.35
Rot. Bonds3

About ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine

ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine (PubChem CID 145093627) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine.

Molecular Properties

Compound Nameethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine
PubChem CID145093627
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Nameethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine
SMILESCC.[H]/N=C(/C=C\C=C)C(=C)C
InChIInChI=1S/C8H11N.C2H6/c1-4-5-6-8(9)7(2)3;1-2/h4-6,9H,1-2H2,3H3;1-2H3/b6-5-,9-8-;
InChIKeyYUORFXNOGQGYFB-YYYWGHDMSA-N
XLogP3.35
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(4Z)-2,6-dimethylhepta-1,4-dien-3-imine
CID 123954860
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(3Z)-2-methylidenehexa-3,5-dien-1-imine
CID 145448043
penta-2,4-dienimidamide
CID 141285400
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
ethane;(2Z,4E,6Z)-2,4,5-trimethylnona-2,4,6,8-tetraen-1-imine
CID 143482492
hexa-1,3,5-trien-2-yl(trimethyl)azanium
CID 123638146
(3Z)-5-imino-2,6-dimethylhepta-3,6-dien-3-amine
CID 176949454
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine?
The IUPAC name of ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine (CID 145093627) is ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine.
What is the SMILES notation for ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine?
The canonical SMILES for ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine is CC.[H]/N=C(/C=C\C=C)C(=C)C.
What is the InChIKey of ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine?
The InChIKey is YUORFXNOGQGYFB-YYYWGHDMSA-N. The full InChI is InChI=1S/C8H11N.C2H6/c1-4-5-6-8(9)7(2)3;1-2/h4-6,9H,1-2H2,3H3;1-2H3/b6-5-,9-8-;.
What are the key properties of ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine?
ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine has a molecular weight of 151.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-2-methylhepta-1,4,6-trien-3-imine is sourced from PubChem (CID 145093627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).