N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine

C12H21N3O — CID 50978544

IUPACN'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOCC(C)NCCNc1cc(C)ccn1
InChIInChI=1S/C12H21N3O/c1-10-4-5-14-12(8-10)15-7-6-13-11(2)9-16-3/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyXTPUHUOZEAHESK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.43
Rot. Bonds7

About N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine

N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 50978544) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID50978544
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOCC(C)NCCNc1cc(C)ccn1
InChIInChI=1S/C12H21N3O/c1-10-4-5-14-12(8-10)15-7-6-13-11(2)9-16-3/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyXTPUHUOZEAHESK-UHFFFAOYSA-N
XLogP1.43
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-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

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine (CID 50978544) is N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine is COCC(C)NCCNc1cc(C)ccn1.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is XTPUHUOZEAHESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-4-5-14-12(8-10)15-7-6-13-11(2)9-16-3/h4-5,8,11,13H,6-7,9H2,1-3H3,(H,14,15).
What are the key properties of N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine?
N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N-(4-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 50978544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).