2-cyclobutylidenehexan-3-imine

C10H17N — CID 123511934

IUPAC2-cyclobutylidenehexan-3-imine
SMILES[H]/N=C(\CCC)C(C)=C1CCC1
InChIInChI=1S/C10H17N/c1-3-5-10(11)8(2)9-6-4-7-9/h11H,3-7H2,1-2H3/b11-10+
InChIKeyZMILUYAYSSVFIX-ZHACJKMWSA-N
MW151.25 g/mol
LogP3.31
Rot. Bonds3

About 2-cyclobutylidenehexan-3-imine

2-cyclobutylidenehexan-3-imine (PubChem CID 123511934) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-cyclobutylidenehexan-3-imine.

Molecular Properties

Compound Name2-cyclobutylidenehexan-3-imine
PubChem CID123511934
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-cyclobutylidenehexan-3-imine
SMILES[H]/N=C(\CCC)C(C)=C1CCC1
InChIInChI=1S/C10H17N/c1-3-5-10(11)8(2)9-6-4-7-9/h11H,3-7H2,1-2H3/b11-10+
InChIKeyZMILUYAYSSVFIX-ZHACJKMWSA-N
XLogP3.31
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclobutylidenehexan-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

Related Compounds

6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
4-Ethyl-3-methylhex-3-en-2-imine
CID 88311275
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038331
(2Z,5Z,9Z)-2,6,10-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038332
(6E)-2,6-dimethylocta-1,6-dien-3-imine
CID 89849288
(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine
CID 90713365
3,4-Dimethyloct-3-en-2-imine
CID 91072612
(E)-4-ethylhex-4-en-3-imine
CID 118894280
(Z)-3-methylhept-2-en-4-imine
CID 123172037
8-Methylnona-1,7-dien-3-imine
CID 123180177
2,6-Dimethylocta-1,6-dien-3-imine
CID 123197604
2,3-Dimethylnon-2-en-4-imine
CID 123464515

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylidenehexan-3-imine?
The IUPAC name of 2-cyclobutylidenehexan-3-imine (CID 123511934) is 2-cyclobutylidenehexan-3-imine.
What is the SMILES notation for 2-cyclobutylidenehexan-3-imine?
The canonical SMILES for 2-cyclobutylidenehexan-3-imine is [H]/N=C(\CCC)C(C)=C1CCC1.
What is the InChIKey of 2-cyclobutylidenehexan-3-imine?
The InChIKey is ZMILUYAYSSVFIX-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-10(11)8(2)9-6-4-7-9/h11H,3-7H2,1-2H3/b11-10+.
What are the key properties of 2-cyclobutylidenehexan-3-imine?
2-cyclobutylidenehexan-3-imine has a molecular weight of 151.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidenehexan-3-imine is sourced from PubChem (CID 123511934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).