3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine

C13H25N — CID 89228550

IUPAC3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine
SMILESC=C(CN)C(CC)(CC)C1(C)CCC1
InChIInChI=1S/C13H25N/c1-5-13(6-2,11(3)10-14)12(4)8-7-9-12/h3,5-10,14H2,1-2,4H3
InChIKeyLGFZBOIGMDTMND-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.50
Rot. Bonds5

About 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine

3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine (PubChem CID 89228550) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine.

Molecular Properties

Compound Name3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine
PubChem CID89228550
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine
SMILESC=C(CN)C(CC)(CC)C1(C)CCC1
InChIInChI=1S/C13H25N/c1-5-13(6-2,11(3)10-14)12(4)8-7-9-12/h3,5-10,14H2,1-2,4H3
InChIKeyLGFZBOIGMDTMND-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine?
The IUPAC name of 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine (CID 89228550) is 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine.
What is the SMILES notation for 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine?
The canonical SMILES for 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine is C=C(CN)C(CC)(CC)C1(C)CCC1.
What is the InChIKey of 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine?
The InChIKey is LGFZBOIGMDTMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-13(6-2,11(3)10-14)12(4)8-7-9-12/h3,5-10,14H2,1-2,4H3.
What are the key properties of 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine?
3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(1-methylcyclobutyl)-2-methylidenepentan-1-amine is sourced from PubChem (CID 89228550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).