ethane;N-[(Z)-pent-2-en-2-yl]ethanimine

C9H19N — CID 142915693

IUPACethane;N-[(Z)-pent-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\CC.CC
InChIInChI=1S/C7H13N.C2H6/c1-4-6-7(3)8-5-2;1-2/h5-6H,4H2,1-3H3;1-2H3/b7-6-,8-5+;
InChIKeyZYSVIBLHIPPXNR-LAPANCLDSA-N
MW141.26 g/mol
LogP3.42
Rot. Bonds2

About ethane;N-[(Z)-pent-2-en-2-yl]ethanimine

ethane;N-[(Z)-pent-2-en-2-yl]ethanimine (PubChem CID 142915693) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;N-[(Z)-pent-2-en-2-yl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-pent-2-en-2-yl]ethanimine
PubChem CID142915693
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;N-[(Z)-pent-2-en-2-yl]ethanimine
SMILESC/C=N/C(C)=C\CC.CC
InChIInChI=1S/C7H13N.C2H6/c1-4-6-7(3)8-5-2;1-2/h5-6H,4H2,1-3H3;1-2H3/b7-6-,8-5+;
InChIKeyZYSVIBLHIPPXNR-LAPANCLDSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367
ethene;N-[(Z)-4-iodobut-2-en-2-yl]ethanimine
CID 143884394
ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine
CID 143978503
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
(E)-2-(1,1-difluoroethyl)-N-[(Z)-pent-2-en-2-yl]but-2-en-1-imine
CID 171492754
N-hept-3-en-4-ylethanimine
CID 123818491
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
N'-[(E)-pent-2-en-2-yl]ethanimidamide
CID 123500479
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
ethane;(2Z,4Z,6E)-6-methylnona-2,4,6-triene
CID 142050106
N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine
CID 167041258
N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine
CID 145143647

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-pent-2-en-2-yl]ethanimine?
The IUPAC name of ethane;N-[(Z)-pent-2-en-2-yl]ethanimine (CID 142915693) is ethane;N-[(Z)-pent-2-en-2-yl]ethanimine.
What is the SMILES notation for ethane;N-[(Z)-pent-2-en-2-yl]ethanimine?
The canonical SMILES for ethane;N-[(Z)-pent-2-en-2-yl]ethanimine is C/C=N/C(C)=C\CC.CC.
What is the InChIKey of ethane;N-[(Z)-pent-2-en-2-yl]ethanimine?
The InChIKey is ZYSVIBLHIPPXNR-LAPANCLDSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-4-6-7(3)8-5-2;1-2/h5-6H,4H2,1-3H3;1-2H3/b7-6-,8-5+;.
What are the key properties of ethane;N-[(Z)-pent-2-en-2-yl]ethanimine?
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine has a molecular weight of 141.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-pent-2-en-2-yl]ethanimine is sourced from PubChem (CID 142915693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).