ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine

C14H29N — CID 143202821

IUPACethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine
SMILESCC.CC.[H]/N=C(CC)/C(CC)=C(/C)C=C
InChIInChI=1S/C10H17N.2C2H6/c1-5-8(4)9(6-2)10(11)7-3;2*1-2/h5,11H,1,6-7H2,2-4H3;2*1-2H3/b9-8-,11-10+;;
InChIKeyCIZAAKKQZXBGHC-QGPNDUNESA-N
MW211.39 g/mol
LogP5.38
Rot. Bonds4

About ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine

ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine (PubChem CID 143202821) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Nameethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine
PubChem CID143202821
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Nameethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine
SMILESCC.CC.[H]/N=C(CC)/C(CC)=C(/C)C=C
InChIInChI=1S/C10H17N.2C2H6/c1-5-8(4)9(6-2)10(11)7-3;2*1-2/h5,11H,1,6-7H2,2-4H3;2*1-2H3/b9-8-,11-10+;;
InChIKeyCIZAAKKQZXBGHC-QGPNDUNESA-N
XLogP5.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500211.39
LogP ≤ 55.38
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

Toluquinone diimine
CID 57641797
(4-Propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 86016874
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
4-Ethyl-5-fluorohepta-4,6-dien-3-imine
CID 123295188
(3E,5Z)-3-ethylidene-5-[(E)-1-fluoroprop-1-enyl]octa-1,5,7-trien-4-imine
CID 132066393
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
CID 135254636
(Z)-2,2-difluoro-7-methylidenedec-5-en-4-imine
CID 143588764
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
CID 154987810
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
CID 155049266
(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine
CID 174316429

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine?
The IUPAC name of ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine (CID 143202821) is ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine.
What is the SMILES notation for ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine?
The canonical SMILES for ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine is CC.CC.[H]/N=C(CC)/C(CC)=C(/C)C=C.
What is the InChIKey of ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine?
The InChIKey is CIZAAKKQZXBGHC-QGPNDUNESA-N. The full InChI is InChI=1S/C10H17N.2C2H6/c1-5-8(4)9(6-2)10(11)7-3;2*1-2/h5,11H,1,6-7H2,2-4H3;2*1-2H3/b9-8-,11-10+;;.
What are the key properties of ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine?
ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine has a molecular weight of 211.39 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-4-ethyl-5-methylhepta-4,6-dien-3-imine is sourced from PubChem (CID 143202821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).