4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine

C12H19N3O — CID 103134990

IUPAC4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
SMILESCC1CCC(CN(C)c2ccncc2N)O1
InChIInChI=1S/C12H19N3O/c1-9-3-4-10(16-9)8-15(2)12-5-6-14-7-11(12)13/h5-7,9-10H,3-4,8,13H2,1-2H3
InChIKeyRGJLNMSCYGHCLD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds3

About 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine

4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine (PubChem CID 103134990) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
PubChem CID103134990
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
SMILESCC1CCC(CN(C)c2ccncc2N)O1
InChIInChI=1S/C12H19N3O/c1-9-3-4-10(16-9)8-15(2)12-5-6-14-7-11(12)13/h5-7,9-10H,3-4,8,13H2,1-2H3
InChIKeyRGJLNMSCYGHCLD-UHFFFAOYSA-N
XLogP1.67
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine 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 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine (CID 103134990) is 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine is CC1CCC(CN(C)c2ccncc2N)O1.
What is the InChIKey of 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine?
The InChIKey is RGJLNMSCYGHCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-3-4-10(16-9)8-15(2)12-5-6-14-7-11(12)13/h5-7,9-10H,3-4,8,13H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine?
4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 103134990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).