N-ethenyl-3-methylcyclobutan-1-amine

C7H13N — CID 166993387

IUPACN-ethenyl-3-methylcyclobutan-1-amine
SMILESC=CNC1CC(C)C1
InChIInChI=1S/C7H13N/c1-3-8-7-4-6(2)5-7/h3,6-8H,1,4-5H2,2H3
InChIKeyWTXJWSCUOHNPNW-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.52
Rot. Bonds2

About N-ethenyl-3-methylcyclobutan-1-amine

N-ethenyl-3-methylcyclobutan-1-amine (PubChem CID 166993387) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-ethenyl-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-ethenyl-3-methylcyclobutan-1-amine
PubChem CID166993387
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-ethenyl-3-methylcyclobutan-1-amine
SMILESC=CNC1CC(C)C1
InChIInChI=1S/C7H13N/c1-3-8-7-4-6(2)5-7/h3,6-8H,1,4-5H2,2H3
InChIKeyWTXJWSCUOHNPNW-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-methylcyclobutan-1-amine?
The IUPAC name of N-ethenyl-3-methylcyclobutan-1-amine (CID 166993387) is N-ethenyl-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-ethenyl-3-methylcyclobutan-1-amine?
The canonical SMILES for N-ethenyl-3-methylcyclobutan-1-amine is C=CNC1CC(C)C1.
What is the InChIKey of N-ethenyl-3-methylcyclobutan-1-amine?
The InChIKey is WTXJWSCUOHNPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-8-7-4-6(2)5-7/h3,6-8H,1,4-5H2,2H3.
What are the key properties of N-ethenyl-3-methylcyclobutan-1-amine?
N-ethenyl-3-methylcyclobutan-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-methylcyclobutan-1-amine is sourced from PubChem (CID 166993387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).