(E)-N-methylpent-3-en-2-imine

C6H11N — CID 59927792

IUPAC(E)-N-methylpent-3-en-2-imine
SMILESC/C=C/C(C)=N/C
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4-5H,1-3H3/b5-4+,7-6+
InChIKeyYELPSSWXBRKTMW-YTXTXJHMSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds1

About (E)-N-methylpent-3-en-2-imine

(E)-N-methylpent-3-en-2-imine (PubChem CID 59927792) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (E)-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-methylpent-3-en-2-imine
PubChem CID59927792
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(E)-N-methylpent-3-en-2-imine
SMILESC/C=C/C(C)=N/C
InChIInChI=1S/C6H11N/c1-4-5-6(2)7-3/h4-5H,1-3H3/b5-4+,7-6+
InChIKeyYELPSSWXBRKTMW-YTXTXJHMSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.65
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

5-methyl-2H-pyrrole
CID 12554804
Dimethyl 1,4-benzoquinone diimine
CID 18730289
2,5-Dimethyl-2H-pyrrole
CID 21811124
3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
(Z)-N-methylpent-2-enimidoyl fluoride
CID 139381399

Frequently Asked Questions

What is the IUPAC name of (E)-N-methylpent-3-en-2-imine?
The IUPAC name of (E)-N-methylpent-3-en-2-imine (CID 59927792) is (E)-N-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-methylpent-3-en-2-imine?
The canonical SMILES for (E)-N-methylpent-3-en-2-imine is C/C=C/C(C)=N/C.
What is the InChIKey of (E)-N-methylpent-3-en-2-imine?
The InChIKey is YELPSSWXBRKTMW-YTXTXJHMSA-N. The full InChI is InChI=1S/C6H11N/c1-4-5-6(2)7-3/h4-5H,1-3H3/b5-4+,7-6+.
What are the key properties of (E)-N-methylpent-3-en-2-imine?
(E)-N-methylpent-3-en-2-imine has a molecular weight of 97.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methylpent-3-en-2-imine is sourced from PubChem (CID 59927792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).