(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine

C9H15N — CID 142024841

IUPAC(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
SMILESC=C(C)/N=C(C)/C(C)=C\C
InChIInChI=1S/C9H15N/c1-6-8(4)9(5)10-7(2)3/h6H,2H2,1,3-5H3/b8-6-,10-9+
InChIKeyHUMKGZWPGVGJAM-JWJWWGMXSA-N
MW137.23 g/mol
LogP2.95
Rot. Bonds2

About (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine

(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine (PubChem CID 142024841) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
PubChem CID142024841
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
SMILESC=C(C)/N=C(C)/C(C)=C\C
InChIInChI=1S/C9H15N/c1-6-8(4)9(5)10-7(2)3/h6H,2H2,1,3-5H3/b8-6-,10-9+
InChIKeyHUMKGZWPGVGJAM-JWJWWGMXSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.95
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

3,4-dimethyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 144835890
ethane;2-methylidene-3-prop-1-en-2-yliminobutanenitrile
CID 143883301
2-prop-1-en-2-yliminopropanal
CID 144727018
(3Z)-2-bromo-3-methylpenta-1,3-diene;ethene
CID 144646634
2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
CID 145449100
N-[(1Z)-3-chloro-2-methylbuta-1,3-dienyl]ethanimine
CID 123892997
3-methyl-N-prop-1-en-2-ylbut-2-enimidoyl chloride
CID 138554186
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
(3Z)-3-methyl-2-methylsulfanylpenta-1,3-diene
CID 88850042
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
methyl N-prop-1-en-2-ylprop-2-enimidate
CID 143198222

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine?
The IUPAC name of (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine (CID 142024841) is (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine.
What is the SMILES notation for (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine?
The canonical SMILES for (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine is C=C(C)/N=C(C)/C(C)=C\C.
What is the InChIKey of (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine?
The InChIKey is HUMKGZWPGVGJAM-JWJWWGMXSA-N. The full InChI is InChI=1S/C9H15N/c1-6-8(4)9(5)10-7(2)3/h6H,2H2,1,3-5H3/b8-6-,10-9+.
What are the key properties of (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine?
(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine has a molecular weight of 137.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine is sourced from PubChem (CID 142024841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).