2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine

C11H19N3O — CID 106504441

IUPAC2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCOc1ccc(NC(CN)C(C)C)nc1
InChIInChI=1S/C11H19N3O/c1-8(2)10(6-12)14-11-5-4-9(15-3)7-13-11/h4-5,7-8,10H,6,12H2,1-3H3,(H,13,14)
InChIKeyAYDWWBUDQOYCOJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.49
Rot. Bonds5

About 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine

2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine (PubChem CID 106504441) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine
PubChem CID106504441
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCOc1ccc(NC(CN)C(C)C)nc1
InChIInChI=1S/C11H19N3O/c1-8(2)10(6-12)14-11-5-4-9(15-3)7-13-11/h4-5,7-8,10H,6,12H2,1-3H3,(H,13,14)
InChIKeyAYDWWBUDQOYCOJ-UHFFFAOYSA-N
XLogP1.49
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxy-2-pyridinyl)amino]propanamide
CID 106503979
5-methoxy-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 103932146
N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine
CID 106504528
6-[(1-amino-3-methylbutan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341149
N-hexan-2-yl-5-methoxypyridin-2-amine
CID 103932159
N-[1-(furan-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 103932113
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
N-[1-(1H-imidazol-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 106504285
5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
CID 106504278
3-[(5-methoxy-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 104696818
2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869550
5-methoxy-N-octan-4-ylpyridin-2-amine
CID 114138454

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine (CID 106504441) is 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine is COc1ccc(NC(CN)C(C)C)nc1.
What is the InChIKey of 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine?
The InChIKey is AYDWWBUDQOYCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(6-12)14-11-5-4-9(15-3)7-13-11/h4-5,7-8,10H,6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine?
2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine has a molecular weight of 209.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 106504441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).