4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine

C12H20N4 — CID 63275542

IUPAC4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine
SMILESCN1CCC(CN(C)c2ccncc2N)C1
InChIInChI=1S/C12H20N4/c1-15-6-4-10(8-15)9-16(2)12-3-5-14-7-11(12)13/h3,5,7,10H,4,6,8-9,13H2,1-2H3
InChIKeyCCDHSZHHIPYJRT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.05
Rot. Bonds3

About 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine

4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine (PubChem CID 63275542) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine
PubChem CID63275542
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine
SMILESCN1CCC(CN(C)c2ccncc2N)C1
InChIInChI=1S/C12H20N4/c1-15-6-4-10(8-15)9-16(2)12-3-5-14-7-11(12)13/h3,5,7,10H,4,6,8-9,13H2,1-2H3
InChIKeyCCDHSZHHIPYJRT-UHFFFAOYSA-N
XLogP1.05
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-4-N-[(1-methylpyrrolidin-3-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

Related Compounds

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 114287570
5-N,3-dimethyl-5-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-5,8-diamine
CID 102713371
2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80647121
4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]pyridine-3,4-diamine
CID 103134990
2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275703
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine
CID 55004739
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 54985825
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
2-(2-aminopropyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63793436
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107926216
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-8-nitroisoquinolin-5-amine
CID 133315097

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine (CID 63275542) is 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine is CN1CCC(CN(C)c2ccncc2N)C1.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine?
The InChIKey is CCDHSZHHIPYJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-6-4-10(8-15)9-16(2)12-3-5-14-7-11(12)13/h3,5,7,10H,4,6,8-9,13H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine?
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.05, 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-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 63275542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).