(2,2-dimethyl-3-methylidenecyclobutyl)methanamine

C8H15N — CID 55291242

IUPAC(2,2-dimethyl-3-methylidenecyclobutyl)methanamine
SMILESC=C1CC(CN)C1(C)C
InChIInChI=1S/C8H15N/c1-6-4-7(5-9)8(6,2)3/h7H,1,4-5,9H2,2-3H3
InChIKeyAEXCMXDWNVMXDK-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.55
Rot. Bonds1

About (2,2-dimethyl-3-methylidenecyclobutyl)methanamine

(2,2-dimethyl-3-methylidenecyclobutyl)methanamine (PubChem CID 55291242) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (2,2-dimethyl-3-methylidenecyclobutyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-3-methylidenecyclobutyl)methanamine
PubChem CID55291242
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(2,2-dimethyl-3-methylidenecyclobutyl)methanamine
SMILESC=C1CC(CN)C1(C)C
InChIInChI=1S/C8H15N/c1-6-4-7(5-9)8(6,2)3/h7H,1,4-5,9H2,2-3H3
InChIKeyAEXCMXDWNVMXDK-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.55
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-3-methylidenecyclobutyl)methanamine?
The IUPAC name of (2,2-dimethyl-3-methylidenecyclobutyl)methanamine (CID 55291242) is (2,2-dimethyl-3-methylidenecyclobutyl)methanamine.
What is the SMILES notation for (2,2-dimethyl-3-methylidenecyclobutyl)methanamine?
The canonical SMILES for (2,2-dimethyl-3-methylidenecyclobutyl)methanamine is C=C1CC(CN)C1(C)C.
What is the InChIKey of (2,2-dimethyl-3-methylidenecyclobutyl)methanamine?
The InChIKey is AEXCMXDWNVMXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-4-7(5-9)8(6,2)3/h7H,1,4-5,9H2,2-3H3.
What are the key properties of (2,2-dimethyl-3-methylidenecyclobutyl)methanamine?
(2,2-dimethyl-3-methylidenecyclobutyl)methanamine has a molecular weight of 125.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-methylidenecyclobutyl)methanamine is sourced from PubChem (CID 55291242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).