(Z)-N,3-dimethylpent-2-en-1-imine;ethane

C9H19N — CID 142001409

IUPAC(Z)-N,3-dimethylpent-2-en-1-imine;ethane
SMILESCC.CC/C(C)=C\C=N\C
InChIInChI=1S/C7H13N.C2H6/c1-4-7(2)5-6-8-3;1-2/h5-6H,4H2,1-3H3;1-2H3/b7-5-,8-6+;
InChIKeyKFDIDHHYOKZXNW-KHCQPJBVSA-N
MW141.26 g/mol
LogP3.07
Rot. Bonds2

About (Z)-N,3-dimethylpent-2-en-1-imine;ethane

(Z)-N,3-dimethylpent-2-en-1-imine;ethane (PubChem CID 142001409) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (Z)-N,3-dimethylpent-2-en-1-imine;ethane.

Molecular Properties

Compound Name(Z)-N,3-dimethylpent-2-en-1-imine;ethane
PubChem CID142001409
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(Z)-N,3-dimethylpent-2-en-1-imine;ethane
SMILESCC.CC/C(C)=C\C=N\C
InChIInChI=1S/C7H13N.C2H6/c1-4-7(2)5-6-8-3;1-2/h5-6H,4H2,1-3H3;1-2H3/b7-5-,8-6+;
InChIKeyKFDIDHHYOKZXNW-KHCQPJBVSA-N
XLogP3.07
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 ≤ 53.07
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

4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
(3R)-3-fluoro-4-methyl-2,3-dihydropyridine
CID 155454769
(Z)-2-fluoro-N-[(E)-2-methylbut-1-enyl]pent-2-en-1-imine
CID 167149871
N-[(Z,2S)-2-fluoro-2,3-dimethylhex-3-enyl]ethanimine
CID 167199959
(E)-N-[(Z)-1-fluoropent-1-enyl]-3-methylhex-2-en-1-imine
CID 173678455
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethylpent-2-en-1-imine;ethane?
The IUPAC name of (Z)-N,3-dimethylpent-2-en-1-imine;ethane (CID 142001409) is (Z)-N,3-dimethylpent-2-en-1-imine;ethane.
What is the SMILES notation for (Z)-N,3-dimethylpent-2-en-1-imine;ethane?
The canonical SMILES for (Z)-N,3-dimethylpent-2-en-1-imine;ethane is CC.CC/C(C)=C\C=N\C.
What is the InChIKey of (Z)-N,3-dimethylpent-2-en-1-imine;ethane?
The InChIKey is KFDIDHHYOKZXNW-KHCQPJBVSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-4-7(2)5-6-8-3;1-2/h5-6H,4H2,1-3H3;1-2H3/b7-5-,8-6+;.
What are the key properties of (Z)-N,3-dimethylpent-2-en-1-imine;ethane?
(Z)-N,3-dimethylpent-2-en-1-imine;ethane has a molecular weight of 141.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethylpent-2-en-1-imine;ethane is sourced from PubChem (CID 142001409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).