N-(4-methylpent-4-en-2-yl)methanimine

C7H13N — CID 142835596

IUPACN-(4-methylpent-4-en-2-yl)methanimine
SMILESC=NC(C)CC(=C)C
InChIInChI=1S/C7H13N/c1-6(2)5-7(3)8-4/h7H,1,4-5H2,2-3H3
InChIKeyFURIXZKNRQHWHW-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds3

About N-(4-methylpent-4-en-2-yl)methanimine

N-(4-methylpent-4-en-2-yl)methanimine (PubChem CID 142835596) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-(4-methylpent-4-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylpent-4-en-2-yl)methanimine
PubChem CID142835596
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-(4-methylpent-4-en-2-yl)methanimine
SMILESC=NC(C)CC(=C)C
InChIInChI=1S/C7H13N/c1-6(2)5-7(3)8-4/h7H,1,4-5H2,2-3H3
InChIKeyFURIXZKNRQHWHW-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
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

4-Isocyanato-2-methylpent-1-ene
CID 23105151
N-(4-methyl-3-methylidenepent-4-enyl)methanimine
CID 123326935
N-(3-methylbut-3-en-2-yl)methanimine
CID 123706155
N-(3-methylbut-3-enyl)methanimine
CID 123733978
N-(4-methylidenehexan-2-yl)methanimine
CID 123941646
N-[(2R)-3-methylbut-3-en-2-yl]methanimine
CID 147143898
N-(3-methylidenepentyl)methanimine
CID 148822396
N-(2-methylpent-1-en-3-yl)methanimine
CID 153684844
N-(3-methylidenecyclobutyl)methanimine
CID 163698724
N-(2-methylidenecyclobutyl)methanimine
CID 164099098
N-(3,4-dimethylpent-4-en-2-yl)methanimine
CID 164104796
N-hex-5-en-2-ylmethanimine
CID 145532064

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-4-en-2-yl)methanimine?
The IUPAC name of N-(4-methylpent-4-en-2-yl)methanimine (CID 142835596) is N-(4-methylpent-4-en-2-yl)methanimine.
What is the SMILES notation for N-(4-methylpent-4-en-2-yl)methanimine?
The canonical SMILES for N-(4-methylpent-4-en-2-yl)methanimine is C=NC(C)CC(=C)C.
What is the InChIKey of N-(4-methylpent-4-en-2-yl)methanimine?
The InChIKey is FURIXZKNRQHWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)5-7(3)8-4/h7H,1,4-5H2,2-3H3.
What are the key properties of N-(4-methylpent-4-en-2-yl)methanimine?
N-(4-methylpent-4-en-2-yl)methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-4-en-2-yl)methanimine is sourced from PubChem (CID 142835596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).