2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine

C9H17N3O — CID 67535619

IUPAC2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine
SMILESCOCC(C)C1(N)C=CC(N)=CN1
InChIInChI=1S/C9H17N3O/c1-7(6-13-2)9(11)4-3-8(10)5-12-9/h3-5,7,12H,6,10-11H2,1-2H3
InChIKeyYJYCRWXXUQAESQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.12
Rot. Bonds3

About 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine

2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine (PubChem CID 67535619) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine
PubChem CID67535619
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine
SMILESCOCC(C)C1(N)C=CC(N)=CN1
InChIInChI=1S/C9H17N3O/c1-7(6-13-2)9(11)4-3-8(10)5-12-9/h3-5,7,12H,6,10-11H2,1-2H3
InChIKeyYJYCRWXXUQAESQ-UHFFFAOYSA-N
XLogP-0.12
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine?
The IUPAC name of 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine (CID 67535619) is 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine is COCC(C)C1(N)C=CC(N)=CN1.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine?
The InChIKey is YJYCRWXXUQAESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(6-13-2)9(11)4-3-8(10)5-12-9/h3-5,7,12H,6,10-11H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine?
2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine has a molecular weight of 183.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine is sourced from PubChem (CID 67535619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).