N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine

C13H23N3 — CID 81249618

IUPACN-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCCC(C)N(C)c1cc(C)ncc1CNC
InChIInChI=1S/C13H23N3/c1-6-11(3)16(5)13-7-10(2)15-9-12(13)8-14-4/h7,9,11,14H,6,8H2,1-5H3
InChIKeyNPEJYRBLSYHTGI-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.34
Rot. Bonds5

About N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine

N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine (PubChem CID 81249618) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
PubChem CID81249618
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
SMILESCCC(C)N(C)c1cc(C)ncc1CNC
InChIInChI=1S/C13H23N3/c1-6-11(3)16(5)13-7-10(2)15-9-12(13)8-14-4/h7,9,11,14H,6,8H2,1-5H3
InChIKeyNPEJYRBLSYHTGI-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-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 N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The IUPAC name of N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine (CID 81249618) is N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine is CCC(C)N(C)c1cc(C)ncc1CNC.
What is the InChIKey of N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
The InChIKey is NPEJYRBLSYHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-11(3)16(5)13-7-10(2)15-9-12(13)8-14-4/h7,9,11,14H,6,8H2,1-5H3.
What are the key properties of N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine?
N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81249618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).