N-ethenyl-5-methyl-4-methylidenehexan-3-imine

C10H17N — CID 177170143

IUPACN-ethenyl-5-methyl-4-methylidenehexan-3-imine
SMILESC=C/N=C(\CC)C(=C)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(11-7-2)9(5)8(3)4/h7-8H,2,5-6H2,1,3-4H3/b11-10+
InChIKeyQNQFTWXOTBJBJX-ZHACJKMWSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds4

About N-ethenyl-5-methyl-4-methylidenehexan-3-imine

N-ethenyl-5-methyl-4-methylidenehexan-3-imine (PubChem CID 177170143) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-ethenyl-5-methyl-4-methylidenehexan-3-imine.

Molecular Properties

Compound NameN-ethenyl-5-methyl-4-methylidenehexan-3-imine
PubChem CID177170143
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-ethenyl-5-methyl-4-methylidenehexan-3-imine
SMILESC=C/N=C(\CC)C(=C)C(C)C
InChIInChI=1S/C10H17N/c1-6-10(11-7-2)9(5)8(3)4/h7-8H,2,5-6H2,1,3-4H3/b11-10+
InChIKeyQNQFTWXOTBJBJX-ZHACJKMWSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-ethenyl-5-methyl-4-methylidenehexan-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-methyl-4-methylidenehexan-3-imine?
The IUPAC name of N-ethenyl-5-methyl-4-methylidenehexan-3-imine (CID 177170143) is N-ethenyl-5-methyl-4-methylidenehexan-3-imine.
What is the SMILES notation for N-ethenyl-5-methyl-4-methylidenehexan-3-imine?
The canonical SMILES for N-ethenyl-5-methyl-4-methylidenehexan-3-imine is C=C/N=C(\CC)C(=C)C(C)C.
What is the InChIKey of N-ethenyl-5-methyl-4-methylidenehexan-3-imine?
The InChIKey is QNQFTWXOTBJBJX-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17N/c1-6-10(11-7-2)9(5)8(3)4/h7-8H,2,5-6H2,1,3-4H3/b11-10+.
What are the key properties of N-ethenyl-5-methyl-4-methylidenehexan-3-imine?
N-ethenyl-5-methyl-4-methylidenehexan-3-imine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-methyl-4-methylidenehexan-3-imine is sourced from PubChem (CID 177170143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).