2-methyl-N-prop-2-enylpent-4-en-1-imine

C9H15N — CID 13443029

IUPAC2-methyl-N-prop-2-enylpent-4-en-1-imine
SMILESC=CC/N=C/C(C)CC=C
InChIInChI=1S/C9H15N/c1-4-6-9(3)8-10-7-5-2/h4-5,8-9H,1-2,6-7H2,3H3/b10-8+
InChIKeyBATAPTHIVLCYKI-CSKARUKUSA-N
MW137.23 g/mol
LogP2.46
Rot. Bonds5

About 2-methyl-N-prop-2-enylpent-4-en-1-imine

2-methyl-N-prop-2-enylpent-4-en-1-imine (PubChem CID 13443029) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enylpent-4-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enylpent-4-en-1-imine
PubChem CID13443029
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-methyl-N-prop-2-enylpent-4-en-1-imine
SMILESC=CC/N=C/C(C)CC=C
InChIInChI=1S/C9H15N/c1-4-6-9(3)8-10-7-5-2/h4-5,8-9H,1-2,6-7H2,3H3/b10-8+
InChIKeyBATAPTHIVLCYKI-CSKARUKUSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.46
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

2-Propen-1-amine, N-(2-methylpropylidene)-
CID 10964438
N-[(E)-5-fluoro-3-methylpent-4-en-2-yl]ethanimine
CID 143818498
(1E)-3,3-Dimethyl-N-(2-methylpropyl)pent-4-en-1-imine
CID 13119721
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
4-Methyl-3,4-dihydropyridine
CID 14979260
3-Methyl-3,4-dihydropyridine
CID 14979268
Allyl-(2,2-dimethyl-pent-4-enylidene)-amine
CID 22928390
2-Propan-2-yl-2,5-dihydropyridine
CID 57314007
(3S)-3-methyl-3,4-dihydropyridine
CID 59014450
6-methyl-5,6-dihydro-2H-azepine
CID 68099614
5-methyl-5,6-dihydro-2H-azepine
CID 68099637
N,2,2-trimethylpent-4-en-1-imine
CID 85819101

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enylpent-4-en-1-imine?
The IUPAC name of 2-methyl-N-prop-2-enylpent-4-en-1-imine (CID 13443029) is 2-methyl-N-prop-2-enylpent-4-en-1-imine.
What is the SMILES notation for 2-methyl-N-prop-2-enylpent-4-en-1-imine?
The canonical SMILES for 2-methyl-N-prop-2-enylpent-4-en-1-imine is C=CC/N=C/C(C)CC=C.
What is the InChIKey of 2-methyl-N-prop-2-enylpent-4-en-1-imine?
The InChIKey is BATAPTHIVLCYKI-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-9(3)8-10-7-5-2/h4-5,8-9H,1-2,6-7H2,3H3/b10-8+.
What are the key properties of 2-methyl-N-prop-2-enylpent-4-en-1-imine?
2-methyl-N-prop-2-enylpent-4-en-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enylpent-4-en-1-imine is sourced from PubChem (CID 13443029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).