N-(4-methylidenehexan-2-yl)methanimine

C8H15N — CID 123941646

IUPACN-(4-methylidenehexan-2-yl)methanimine
SMILESC=NC(C)CC(=C)CC
InChIInChI=1S/C8H15N/c1-5-7(2)6-8(3)9-4/h8H,2,4-6H2,1,3H3
InChIKeyZMNDNXLTCMWUBD-UHFFFAOYSA-N
MW125.22 g/mol
LogP2.43
Rot. Bonds4

About N-(4-methylidenehexan-2-yl)methanimine

N-(4-methylidenehexan-2-yl)methanimine (PubChem CID 123941646) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is N-(4-methylidenehexan-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylidenehexan-2-yl)methanimine
PubChem CID123941646
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC NameN-(4-methylidenehexan-2-yl)methanimine
SMILESC=NC(C)CC(=C)CC
InChIInChI=1S/C8H15N/c1-5-7(2)6-8(3)9-4/h8H,2,4-6H2,1,3H3
InChIKeyZMNDNXLTCMWUBD-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 52.43
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-hept-6-en-3-ylmethanimine
CID 91148336
N-(6-methyl-5-methylidenehept-6-enyl)methanimine
CID 91160163
N-hept-1-en-3-ylmethanimine
CID 91437771
N-(4-methyl-3-methylidenepent-4-enyl)methanimine
CID 123326935
N-hept-1-en-4-ylmethanimine
CID 124182016
N-(3-methylidenenonan-4-yl)methanimine
CID 130286484
N-(2,3,4-trimethylidenecyclohexyl)methanimine
CID 137397637
N-(2-methyl-6-methylideneocta-1,7-dien-3-yl)methanimine
CID 139514343
N-(4-methylpent-4-en-2-yl)methanimine
CID 142835596
N-(3-methylidenepentyl)methanimine
CID 148822396
N-(2-methylpent-1-en-3-yl)methanimine
CID 153684844

Frequently Asked Questions

What is the IUPAC name of N-(4-methylidenehexan-2-yl)methanimine?
The IUPAC name of N-(4-methylidenehexan-2-yl)methanimine (CID 123941646) is N-(4-methylidenehexan-2-yl)methanimine.
What is the SMILES notation for N-(4-methylidenehexan-2-yl)methanimine?
The canonical SMILES for N-(4-methylidenehexan-2-yl)methanimine is C=NC(C)CC(=C)CC.
What is the InChIKey of N-(4-methylidenehexan-2-yl)methanimine?
The InChIKey is ZMNDNXLTCMWUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(2)6-8(3)9-4/h8H,2,4-6H2,1,3H3.
What are the key properties of N-(4-methylidenehexan-2-yl)methanimine?
N-(4-methylidenehexan-2-yl)methanimine has a molecular weight of 125.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidenehexan-2-yl)methanimine is sourced from PubChem (CID 123941646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).