2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine

C13H23N3O — CID 43678979

IUPAC2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC(C)C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)10(3)15-12-11(16(4)5)7-8-14-13(12)17-6/h7-10,15H,1-6H3
InChIKeyYDKPOZWKDHKTCN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.61
Rot. Bonds5

About 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine

2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine (PubChem CID 43678979) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine
PubChem CID43678979
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NC(C)C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)10(3)15-12-11(16(4)5)7-8-14-13(12)17-6/h7-10,15H,1-6H3
InChIKeyYDKPOZWKDHKTCN-UHFFFAOYSA-N
XLogP2.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-N,4-N-dimethyl-3-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-3,4-diamine
CID 43779993
3-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]-2-methylbutan-2-ol
CID 65337596
2-[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]propanoic acid
CID 66174302
2-methoxy-3-N-(4-methoxy-4-methylpentan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678871
3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678972
3-N-[1-(furan-2-yl)propan-2-yl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 63098550
3-N-cyclopentyl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678920
2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
2-cyclopropyl-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]propanamide
CID 75376281
2-methoxy-4-N,4-N-dimethyl-3-N-(thian-4-yl)pyridine-3,4-diamine
CID 43679022
2-methoxy-4-N,4-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-3,4-diamine
CID 65044066
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-2-methyl-2-(methylamino)propanamide
CID 62836562

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine (CID 43678979) is 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine is COc1nccc(N(C)C)c1NC(C)C(C)C.
What is the InChIKey of 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine?
The InChIKey is YDKPOZWKDHKTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)10(3)15-12-11(16(4)5)7-8-14-13(12)17-6/h7-10,15H,1-6H3.
What are the key properties of 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine?
2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 43678979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).