ethane;(Z)-2-methylpent-2-en-1-imine

C8H17N — CID 142150503

IUPACethane;(Z)-2-methylpent-2-en-1-imine
SMILESCC.[H]/N=C/C(C)=C\CC
InChIInChI=1S/C6H11N.C2H6/c1-3-4-6(2)5-7;1-2/h4-5,7H,3H2,1-2H3;1-2H3/b6-4-,7-5+;
InChIKeyQHAAPJFMSVZZIM-ZMVRXXEHSA-N
MW127.23 g/mol
LogP3.02
Rot. Bonds2

About ethane;(Z)-2-methylpent-2-en-1-imine

ethane;(Z)-2-methylpent-2-en-1-imine (PubChem CID 142150503) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is ethane;(Z)-2-methylpent-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-2-methylpent-2-en-1-imine
PubChem CID142150503
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameethane;(Z)-2-methylpent-2-en-1-imine
SMILESCC.[H]/N=C/C(C)=C\CC
InChIInChI=1S/C6H11N.C2H6/c1-3-4-6(2)5-7;1-2/h4-5,7H,3H2,1-2H3;1-2H3/b6-4-,7-5+;
InChIKeyQHAAPJFMSVZZIM-ZMVRXXEHSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
Iminosqualene
CID 129661666
(E)-2-fluoro-5-methylhept-4-en-1-imine
CID 89953267
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
(E)-2-(1,1-difluoroethyl)but-2-en-1-imine
CID 147852045
(2E,3Z,6E,8Z)-2-ethylidene-6-fluoro-5-methylidenedeca-3,6,8-trien-1-imine
CID 156073483
(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110
(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 166669652
(E)-2-(1,1-difluoroethyl)but-2-en-1-imine;ethane
CID 171493318
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
4-Methylnona-2,4,6,8-tetraen-1-imine
CID 91326389
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-methylpent-2-en-1-imine?
The IUPAC name of ethane;(Z)-2-methylpent-2-en-1-imine (CID 142150503) is ethane;(Z)-2-methylpent-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-2-methylpent-2-en-1-imine?
The canonical SMILES for ethane;(Z)-2-methylpent-2-en-1-imine is CC.[H]/N=C/C(C)=C\CC.
What is the InChIKey of ethane;(Z)-2-methylpent-2-en-1-imine?
The InChIKey is QHAAPJFMSVZZIM-ZMVRXXEHSA-N. The full InChI is InChI=1S/C6H11N.C2H6/c1-3-4-6(2)5-7;1-2/h4-5,7H,3H2,1-2H3;1-2H3/b6-4-,7-5+;.
What are the key properties of ethane;(Z)-2-methylpent-2-en-1-imine?
ethane;(Z)-2-methylpent-2-en-1-imine has a molecular weight of 127.23 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methylpent-2-en-1-imine is sourced from PubChem (CID 142150503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).