2,2-dimethyl-4-methylidenecyclobutan-1-amine

C7H13N — CID 163815231

IUPAC2,2-dimethyl-4-methylidenecyclobutan-1-amine
SMILESC=C1CC(C)(C)C1N
InChIInChI=1S/C7H13N/c1-5-4-7(2,3)6(5)8/h6H,1,4,8H2,2-3H3
InChIKeyNQTKPRYHIFBQJA-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds

About 2,2-dimethyl-4-methylidenecyclobutan-1-amine

2,2-dimethyl-4-methylidenecyclobutan-1-amine (PubChem CID 163815231) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylidenecyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-methylidenecyclobutan-1-amine
PubChem CID163815231
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2,2-dimethyl-4-methylidenecyclobutan-1-amine
SMILESC=C1CC(C)(C)C1N
InChIInChI=1S/C7H13N/c1-5-4-7(2,3)6(5)8/h6H,1,4,8H2,2-3H3
InChIKeyNQTKPRYHIFBQJA-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-methylidenecyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-4-methylidenecyclobutan-1-amine (CID 163815231) is 2,2-dimethyl-4-methylidenecyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-methylidenecyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-methylidenecyclobutan-1-amine is C=C1CC(C)(C)C1N.
What is the InChIKey of 2,2-dimethyl-4-methylidenecyclobutan-1-amine?
The InChIKey is NQTKPRYHIFBQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-4-7(2,3)6(5)8/h6H,1,4,8H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-methylidenecyclobutan-1-amine?
2,2-dimethyl-4-methylidenecyclobutan-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-methylidenecyclobutan-1-amine is sourced from PubChem (CID 163815231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).