2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine

C10H19N3O — CID 154455033

IUPAC2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine
SMILESCCC(COC)C1(N)NC=CC=C1N
InChIInChI=1S/C10H19N3O/c1-3-8(7-14-2)10(12)9(11)5-4-6-13-10/h4-6,8,13H,3,7,11-12H2,1-2H3
InChIKeyDYAIIJWUSFXDRM-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.27
Rot. Bonds4

About 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine

2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine (PubChem CID 154455033) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine
PubChem CID154455033
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine
SMILESCCC(COC)C1(N)NC=CC=C1N
InChIInChI=1S/C10H19N3O/c1-3-8(7-14-2)10(12)9(11)5-4-6-13-10/h4-6,8,13H,3,7,11-12H2,1-2H3
InChIKeyDYAIIJWUSFXDRM-UHFFFAOYSA-N
XLogP0.27
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxypropan-2-yl)-1H-pyridine-2,5-diamine
CID 67535619
2-[(2R)-1-methoxypentan-2-yl]-1H-pyridine-2,3-diamine
CID 124140256
2-(oxan-4-yl)-1H-pyridine-2,5-diamine
CID 142494340
2-(3-methoxypropyl)-2-N-methyl-1H-pyridine-2,5-diamine
CID 152574327
2-(3-methoxypropyl)-1H-pyridine-2,5-diamine
CID 154193878
2-(oxan-4-yl)-1H-pyridine-2,3-diamine
CID 154207529
2-(1-methoxypropan-2-yl)-1H-pyridine-2,3-diamine
CID 154455038
2-(3-methyloxolan-3-yl)-1H-pyridine-2,3-diamine
CID 172802718
2-(2-methoxyethyl)-1H-pyridine-2,3-diamine
CID 175105703
2-(oxolan-3-yl)-1H-pyridine-2,3-diamine
CID 175173560

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine?
The IUPAC name of 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine (CID 154455033) is 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine is CCC(COC)C1(N)NC=CC=C1N.
What is the InChIKey of 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine?
The InChIKey is DYAIIJWUSFXDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-8(7-14-2)10(12)9(11)5-4-6-13-10/h4-6,8,13H,3,7,11-12H2,1-2H3.
What are the key properties of 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine?
2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine has a molecular weight of 197.28 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutan-2-yl)-1H-pyridine-2,3-diamine is sourced from PubChem (CID 154455033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).