N-(3-methylidenepentyl)methanimine

C7H13N — CID 148822396

IUPACN-(3-methylidenepentyl)methanimine
SMILESC=NCCC(=C)CC
InChIInChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h2-6H2,1H3
InChIKeyHPKPYRLSONMJAE-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds4

About N-(3-methylidenepentyl)methanimine

N-(3-methylidenepentyl)methanimine (PubChem CID 148822396) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-(3-methylidenepentyl)methanimine.

Molecular Properties

Compound NameN-(3-methylidenepentyl)methanimine
PubChem CID148822396
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-(3-methylidenepentyl)methanimine
SMILESC=NCCC(=C)CC
InChIInChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h2-6H2,1H3
InChIKeyHPKPYRLSONMJAE-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

N-(2-methylidenehexyl)methanimine
CID 89785528
N-(2-ethylbut-1-enyl)methanimine
CID 118048895
N-(2-methylidenebutyl)methanimine
CID 123175478
N-(4-methyl-3-methylidenepent-4-enyl)methanimine
CID 123326935
N-(3-methylbut-3-enyl)methanimine
CID 123733978
N-(4-methylidenehexan-2-yl)methanimine
CID 123941646
N-(4-methylpent-4-en-2-yl)methanimine
CID 142835596
N-[(Z)-3-ethylpent-3-enyl]methanimine
CID 142932212
N-(2,3-dimethylbut-3-enyl)methanimine
CID 148823197
N-(2-ethenylidenepentyl)methanimine
CID 163894236
ethane;N-(3-methylbut-3-enyl)methanimine
CID 177207811
N-(2,4-dimethylpent-4-enyl)methanimine
CID 143707443

Frequently Asked Questions

What is the IUPAC name of N-(3-methylidenepentyl)methanimine?
The IUPAC name of N-(3-methylidenepentyl)methanimine (CID 148822396) is N-(3-methylidenepentyl)methanimine.
What is the SMILES notation for N-(3-methylidenepentyl)methanimine?
The canonical SMILES for N-(3-methylidenepentyl)methanimine is C=NCCC(=C)CC.
What is the InChIKey of N-(3-methylidenepentyl)methanimine?
The InChIKey is HPKPYRLSONMJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-4-7(2)5-6-8-3/h2-6H2,1H3.
What are the key properties of N-(3-methylidenepentyl)methanimine?
N-(3-methylidenepentyl)methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylidenepentyl)methanimine is sourced from PubChem (CID 148822396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).