N-(3-methyl-2-methylidenepentyl)methanimine

C8H15N — CID 22946739

IUPACN-(3-methyl-2-methylidenepentyl)methanimine
SMILESC=NCC(=C)C(C)CC
InChIInChI=1S/C8H15N/c1-5-7(2)8(3)6-9-4/h7H,3-6H2,1-2H3
InChIKeyDULJKRRTDNHQST-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.29
Rot. Bonds4

About N-(3-methyl-2-methylidenepentyl)methanimine

N-(3-methyl-2-methylidenepentyl)methanimine (PubChem CID 22946739) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(3-methyl-2-methylidenepentyl)methanimine.

Molecular Properties

Compound NameN-(3-methyl-2-methylidenepentyl)methanimine
PubChem CID22946739
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(3-methyl-2-methylidenepentyl)methanimine
SMILESC=NCC(=C)C(C)CC
InChIInChI=1S/C8H15N/c1-5-7(2)8(3)6-9-4/h7H,3-6H2,1-2H3
InChIKeyDULJKRRTDNHQST-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.29
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-(4-methyl-3-methylidenepent-4-enyl)methanimine
CID 123326935
N-(3-methylhex-5-enyl)methanimine
CID 123500890
N-(2-ethylpent-4-enyl)methanimine
CID 123799673
N-(3-methylocta-5,6-dienyl)methanimine
CID 123805064
N-(2,4-dimethylpent-4-enyl)methanimine;ethane
CID 143707442
N-[(Z,3S)-2,3-dimethylpent-1-enyl]methanimine
CID 163452027
N-(2-ethenylidenepentyl)methanimine
CID 163894236
N-[(3R)-3-ethyl-4-methylpent-4-enyl]ethanimine
CID 164026374
N-(3,4-dimethylpent-4-en-2-yl)methanimine
CID 164104796
N-(3-ethyl-2-methylidenehexyl)ethanimine
CID 166864525
N-(5,6-dimethylhept-6-enyl)methanimine
CID 168178474

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-methylidenepentyl)methanimine?
The IUPAC name of N-(3-methyl-2-methylidenepentyl)methanimine (CID 22946739) is N-(3-methyl-2-methylidenepentyl)methanimine.
What is the SMILES notation for N-(3-methyl-2-methylidenepentyl)methanimine?
The canonical SMILES for N-(3-methyl-2-methylidenepentyl)methanimine is C=NCC(=C)C(C)CC.
What is the InChIKey of N-(3-methyl-2-methylidenepentyl)methanimine?
The InChIKey is DULJKRRTDNHQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(2)8(3)6-9-4/h7H,3-6H2,1-2H3.
What are the key properties of N-(3-methyl-2-methylidenepentyl)methanimine?
N-(3-methyl-2-methylidenepentyl)methanimine has a molecular weight of 125.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-methylidenepentyl)methanimine is sourced from PubChem (CID 22946739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).