1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine

C10H17N3 — CID 43564094

IUPAC1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCC(N)CN(C)Cc1ccncc1
InChIInChI=1S/C10H17N3/c1-9(11)7-13(2)8-10-3-5-12-6-4-10/h3-6,9H,7-8,11H2,1-2H3
InChIKeyPWHHODDFGKIDQC-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.86
Rot. Bonds4

About 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine

1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine (PubChem CID 43564094) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
PubChem CID43564094
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCC(N)CN(C)Cc1ccncc1
InChIInChI=1S/C10H17N3/c1-9(11)7-13(2)8-10-3-5-12-6-4-10/h3-6,9H,7-8,11H2,1-2H3
InChIKeyPWHHODDFGKIDQC-UHFFFAOYSA-N
XLogP0.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-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

2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propan-1-ol
CID 115665682
2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63571999
2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63069655
N,2-dimethyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62432012
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
1-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 62016328
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62560797
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
1-cyclohexyl-N,N'-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104744827

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine (CID 43564094) is 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine is CC(N)CN(C)Cc1ccncc1.
What is the InChIKey of 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is PWHHODDFGKIDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(11)7-13(2)8-10-3-5-12-6-4-10/h3-6,9H,7-8,11H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 43564094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).