1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine

C12H21N3O — CID 107159402

IUPAC1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCOc1cc(NCC(N)CC(C)C)ccn1
InChIInChI=1S/C12H21N3O/c1-9(2)6-10(13)8-15-11-4-5-14-12(7-11)16-3/h4-5,7,9-10H,6,8,13H2,1-3H3,(H,14,15)
InChIKeyPBAXTAGGLFQHDY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds6

About 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine

1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine (PubChem CID 107159402) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine
PubChem CID107159402
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCOc1cc(NCC(N)CC(C)C)ccn1
InChIInChI=1S/C12H21N3O/c1-9(2)6-10(13)8-15-11-4-5-14-12(7-11)16-3/h4-5,7,9-10H,6,8,13H2,1-3H3,(H,14,15)
InChIKeyPBAXTAGGLFQHDY-UHFFFAOYSA-N
XLogP1.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-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

4-[(2-amino-4-methylpentyl)amino]-N-ethylpyridine-2-carboxamide
CID 107159414
4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 83945325
N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
1-N-(6-methoxypyrazin-2-yl)-4-methylpentane-1,2-diamine
CID 107159346
2-[(2-methoxy-4-pyridinyl)amino]ethyl carbamate
CID 83205251
2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
CID 106252050
N-[(1-aminocyclobutyl)methyl]-2-methoxypyridin-4-amine
CID 103354198
3-N-(2-methoxy-4-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357770
methyl 3-[(2-methoxy-4-pyridinyl)amino]-2,2-dimethylpropanoate
CID 114283843
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754
4-methyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
CID 107159425

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine (CID 107159402) is 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine is COc1cc(NCC(N)CC(C)C)ccn1.
What is the InChIKey of 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine?
The InChIKey is PBAXTAGGLFQHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)6-10(13)8-15-11-4-5-14-12(7-11)16-3/h4-5,7,9-10H,6,8,13H2,1-3H3,(H,14,15).
What are the key properties of 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine?
1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-4-pyridinyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 107159402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).