2-cyclobutylidene-4-methylpentan-3-imine

C10H17N — CID 163664291

IUPAC2-cyclobutylidene-4-methylpentan-3-imine
SMILES[H]/N=C(/C(C)=C1CCC1)C(C)C
InChIInChI=1S/C10H17N/c1-7(2)10(11)8(3)9-5-4-6-9/h7,11H,4-6H2,1-3H3/b11-10+
InChIKeyIXBCKSDMHIGCKD-ZHACJKMWSA-N
MW151.25 g/mol
LogP3.16
Rot. Bonds2

About 2-cyclobutylidene-4-methylpentan-3-imine

2-cyclobutylidene-4-methylpentan-3-imine (PubChem CID 163664291) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-cyclobutylidene-4-methylpentan-3-imine.

Molecular Properties

Compound Name2-cyclobutylidene-4-methylpentan-3-imine
PubChem CID163664291
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-cyclobutylidene-4-methylpentan-3-imine
SMILES[H]/N=C(/C(C)=C1CCC1)C(C)C
InChIInChI=1S/C10H17N/c1-7(2)10(11)8(3)9-5-4-6-9/h7,11H,4-6H2,1-3H3/b11-10+
InChIKeyIXBCKSDMHIGCKD-ZHACJKMWSA-N
XLogP3.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine
CID 90713365
3,4-Dimethyloct-3-en-2-imine
CID 91072612
(E)-3,4,5-trimethylhex-3-en-2-imine
CID 117717663
(E)-2,6-dimethyl-4-propan-2-ylhept-4-en-3-imine
CID 118346045
(Z)-4-imino-3,5-dimethylhex-2-en-2-amine
CID 118348642
2-Cyclobutylidenehexan-3-imine
CID 123511934
4-(2,3-Dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine
CID 123834599
3,6-Dimethylhept-2-en-4-imine
CID 123888930
4-Methyl-3-propan-2-ylpent-3-en-2-imine
CID 123902330
3-Tert-butyl-4-methylpent-3-en-2-imine
CID 134238673
(E)-2,4,5,6-tetramethylhept-4-en-3-imine
CID 134462292
(2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine
CID 137400368

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylidene-4-methylpentan-3-imine?
The IUPAC name of 2-cyclobutylidene-4-methylpentan-3-imine (CID 163664291) is 2-cyclobutylidene-4-methylpentan-3-imine.
What is the SMILES notation for 2-cyclobutylidene-4-methylpentan-3-imine?
The canonical SMILES for 2-cyclobutylidene-4-methylpentan-3-imine is [H]/N=C(/C(C)=C1CCC1)C(C)C.
What is the InChIKey of 2-cyclobutylidene-4-methylpentan-3-imine?
The InChIKey is IXBCKSDMHIGCKD-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17N/c1-7(2)10(11)8(3)9-5-4-6-9/h7,11H,4-6H2,1-3H3/b11-10+.
What are the key properties of 2-cyclobutylidene-4-methylpentan-3-imine?
2-cyclobutylidene-4-methylpentan-3-imine has a molecular weight of 151.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylidene-4-methylpentan-3-imine is sourced from PubChem (CID 163664291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).