2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine

C13H25N — CID 123705318

IUPAC2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine
SMILESCCC/C(=N\C)C(C)C1CC(C)C1C
InChIInChI=1S/C13H25N/c1-6-7-13(14-5)11(4)12-8-9(2)10(12)3/h9-12H,6-8H2,1-5H3/b14-13+
InChIKeyRTGNFDIANXMWOL-BUHFOSPRSA-N
MW195.35 g/mol
LogP3.79
Rot. Bonds4

About 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine

2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine (PubChem CID 123705318) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine.

Molecular Properties

Compound Name2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine
PubChem CID123705318
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine
SMILESCCC/C(=N\C)C(C)C1CC(C)C1C
InChIInChI=1S/C13H25N/c1-6-7-13(14-5)11(4)12-8-9(2)10(12)3/h9-12H,6-8H2,1-5H3/b14-13+
InChIKeyRTGNFDIANXMWOL-BUHFOSPRSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
1-(2,3-dimethylcyclobutyl)butan-1-ol
CID 130831475
1-(1-chloropropyl)-2,3-dimethylcyclobutane
CID 131133771
1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
CID 123367002
1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
CID 123429129
1-(2,3-dimethylcyclobutyl)butan-1-one
CID 131107277
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1-(dipropoxymethyl)-2-methylcyclopropane
CID 59066798
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
1,2-dimethyl-3-pent-3-en-2-ylcyclobutane
CID 123364191
1-(3-ethylpentan-2-yl)-2-methylcyclopropane
CID 91445578

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine?
The IUPAC name of 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine (CID 123705318) is 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine.
What is the SMILES notation for 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine?
The canonical SMILES for 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine is CCC/C(=N\C)C(C)C1CC(C)C1C.
What is the InChIKey of 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine?
The InChIKey is RTGNFDIANXMWOL-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H25N/c1-6-7-13(14-5)11(4)12-8-9(2)10(12)3/h9-12H,6-8H2,1-5H3/b14-13+.
What are the key properties of 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine?
2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine has a molecular weight of 195.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine is sourced from PubChem (CID 123705318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).