1,2-dimethylcyclobutan-1-amine;formic acid

C7H15NO2 — CID 175124192

IUPAC1,2-dimethylcyclobutan-1-amine;formic acid
SMILESCC1CCC1(C)N.O=CO
InChIInChI=1S/C6H13N.CH2O2/c1-5-3-4-6(5,2)7;2-1-3/h5H,3-4,7H2,1-2H3;1H,(H,2,3)
InChIKeySQPKEELWWJRHIY-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds

About 1,2-dimethylcyclobutan-1-amine;formic acid

1,2-dimethylcyclobutan-1-amine;formic acid (PubChem CID 175124192) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1,2-dimethylcyclobutan-1-amine;formic acid.

Molecular Properties

Compound Name1,2-dimethylcyclobutan-1-amine;formic acid
PubChem CID175124192
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1,2-dimethylcyclobutan-1-amine;formic acid
SMILESCC1CCC1(C)N.O=CO
InChIInChI=1S/C6H13N.CH2O2/c1-5-3-4-6(5,2)7;2-1-3/h5H,3-4,7H2,1-2H3;1H,(H,2,3)
InChIKeySQPKEELWWJRHIY-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1,2-dimethylcyclobutan-1-amine
CID 147198625
formic acid;1-methylcyclobutan-1-amine;hydrochloride
CID 175593564
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
carbamic acid;1,2-dimethylcyclohexan-1-amine
CID 175425918
3-amino-2,3-dimethylcyclopentane-1-carboxylic acid
CID 45122086
1,2-dimethylcyclopentan-1-amine;hydrochloride
CID 146050243
trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
trans-(1R,3S)-1,2,2,3-tetramethylcyclopentan-1-amine
CID 55289923
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
CID 83905947
1,5-dimethylbicyclo[3.2.1]octan-8-ol;formic acid
CID 70582524
[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclobutan-1-amine;formic acid?
The IUPAC name of 1,2-dimethylcyclobutan-1-amine;formic acid (CID 175124192) is 1,2-dimethylcyclobutan-1-amine;formic acid.
What is the SMILES notation for 1,2-dimethylcyclobutan-1-amine;formic acid?
The canonical SMILES for 1,2-dimethylcyclobutan-1-amine;formic acid is CC1CCC1(C)N.O=CO.
What is the InChIKey of 1,2-dimethylcyclobutan-1-amine;formic acid?
The InChIKey is SQPKEELWWJRHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.CH2O2/c1-5-3-4-6(5,2)7;2-1-3/h5H,3-4,7H2,1-2H3;1H,(H,2,3).
What are the key properties of 1,2-dimethylcyclobutan-1-amine;formic acid?
1,2-dimethylcyclobutan-1-amine;formic acid has a molecular weight of 145.20 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclobutan-1-amine;formic acid is sourced from PubChem (CID 175124192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).