1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine

C13H23N3 — CID 103109827

IUPAC1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1ccc(C)nc1
InChIInChI=1S/C13H23N3/c1-5-16(4)10-12(3)15-9-13-7-6-11(2)14-8-13/h6-8,12,15H,5,9-10H2,1-4H3
InChIKeyILYHIZMBEWNHPN-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.82
Rot. Bonds6

About 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine

1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine (PubChem CID 103109827) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
PubChem CID103109827
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
SMILESCCN(C)CC(C)NCc1ccc(C)nc1
InChIInChI=1S/C13H23N3/c1-5-16(4)10-12(3)15-9-13-7-6-11(2)14-8-13/h6-8,12,15H,5,9-10H2,1-4H3
InChIKeyILYHIZMBEWNHPN-UHFFFAOYSA-N
XLogP1.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]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-[(6-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 89305217
3-[(6-methyl-3-pyridinyl)methylamino]butanenitrile
CID 62996928
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
N,N-dimethyl-4-[1-[(6-methyl-3-pyridinyl)methylamino]ethyl]aniline
CID 62996331
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104753454
(2S)-2-[(6-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 104980540
2-N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 114269562
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
1-N-ethyl-1-N-methyl-2-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propane-1,2-diamine
CID 103109579
1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 103110027
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 62996333
2-[methyl-[(6-methyl-3-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55139938

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine (CID 103109827) is 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine is CCN(C)CC(C)NCc1ccc(C)nc1.
What is the InChIKey of 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The InChIKey is ILYHIZMBEWNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-16(4)10-12(3)15-9-13-7-6-11(2)14-8-13/h6-8,12,15H,5,9-10H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methyl-2-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 103109827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).