2-methyl-2-pentenal N-allylimine

C9H15N — CID 129747538

IUPAC2-methyl-N-prop-2-enylpent-2-en-1-imine
SMILESCCC=C(C)C=NCC=C
InChIInChI=1S/C9H15N/c1-4-6-9(3)8-10-7-5-2/h5-6,8H,2,4,7H2,1,3H3
InChIKeyJRQMFKNUWATQGQ-UHFFFAOYSA-N
MW137.22 g/mol
LogP2.30
Rot. Bonds4

About 2-methyl-2-pentenal N-allylimine

2-methyl-2-pentenal N-allylimine (PubChem CID 129747538) has the molecular formula C9H15N and a molecular weight of 137.22 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpent-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-2-pentenal N-allylimine
PubChem CID129747538
Molecular FormulaC9H15N
Molecular Weight137.22 g/mol
Exact Mass137.12
IUPAC Name2-methyl-N-prop-2-enylpent-2-en-1-imine
SMILESCCC=C(C)C=NCC=C
InChIInChI=1S/C9H15N/c1-4-6-9(3)8-10-7-5-2/h5-6,8H,2,4,7H2,1,3H3
InChIKeyJRQMFKNUWATQGQ-UHFFFAOYSA-N
XLogP2.30
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity143

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
5-Ethyl-2-fluoro-2,3-dihydropyridine
CID 169872706
(E)-2-(fluoromethyl)-N-methylpent-2-en-1-imine
CID 171493683
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
N-(2-methylpent-2-en-1-ylidene)cyclopropan-amine
CID 129748290
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
(Z)-2-methyl-N-(2,2,2-trifluoroethyl)pent-2-en-1-imine
CID 143072457
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
N-[(Z)-4,4-difluoropent-2-enyl]-2-methylidenebutan-1-imine
CID 143683476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pentenal N-allylimine?
The IUPAC name of 2-methyl-2-pentenal N-allylimine (CID 129747538) is 2-methyl-N-prop-2-enylpent-2-en-1-imine.
What is the SMILES notation for 2-methyl-2-pentenal N-allylimine?
The canonical SMILES for 2-methyl-2-pentenal N-allylimine is CCC=C(C)C=NCC=C.
What is the InChIKey of 2-methyl-2-pentenal N-allylimine?
The InChIKey is JRQMFKNUWATQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-9(3)8-10-7-5-2/h5-6,8H,2,4,7H2,1,3H3.
What are the key properties of 2-methyl-2-pentenal N-allylimine?
2-methyl-2-pentenal N-allylimine has a molecular weight of 137.22 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pentenal N-allylimine is sourced from PubChem (CID 129747538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).