1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine

C14H22N2 — CID 103164322

IUPAC1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine
SMILESCNC(CC1CCC1)C(C)c1ccncc1
InChIInChI=1S/C14H22N2/c1-11(13-6-8-16-9-7-13)14(15-2)10-12-4-3-5-12/h6-9,11-12,14-15H,3-5,10H2,1-2H3
InChIKeyZZMWFVBKBCNMIE-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.96
Rot. Bonds5

About 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine

1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine (PubChem CID 103164322) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine
PubChem CID103164322
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine
SMILESCNC(CC1CCC1)C(C)c1ccncc1
InChIInChI=1S/C14H22N2/c1-11(13-6-8-16-9-7-13)14(15-2)10-12-4-3-5-12/h6-9,11-12,14-15H,3-5,10H2,1-2H3
InChIKeyZZMWFVBKBCNMIE-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-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 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine?
The IUPAC name of 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine (CID 103164322) is 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine is CNC(CC1CCC1)C(C)c1ccncc1.
What is the InChIKey of 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine?
The InChIKey is ZZMWFVBKBCNMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(13-6-8-16-9-7-13)14(15-2)10-12-4-3-5-12/h6-9,11-12,14-15H,3-5,10H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine?
1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-3-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 103164322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).