2-[(6-amino-3-pyridinyl)amino]propan-1-ol

C8H13N3O — CID 43498943

IUPAC2-[(6-amino-3-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1ccc(N)nc1
InChIInChI=1S/C8H13N3O/c1-6(5-12)11-7-2-3-8(9)10-4-7/h2-4,6,11-12H,5H2,1H3,(H2,9,10)
InChIKeyHSFUXVPWJFHSDL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.46
Rot. Bonds3

About 2-[(6-amino-3-pyridinyl)amino]propan-1-ol

2-[(6-amino-3-pyridinyl)amino]propan-1-ol (PubChem CID 43498943) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)amino]propan-1-ol
PubChem CID43498943
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(6-amino-3-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1ccc(N)nc1
InChIInChI=1S/C8H13N3O/c1-6(5-12)11-7-2-3-8(9)10-4-7/h2-4,6,11-12H,5H2,1H3,(H2,9,10)
InChIKeyHSFUXVPWJFHSDL-UHFFFAOYSA-N
XLogP0.46
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-hexan-2-ylpyridine-2,5-diamine
CID 62198332
3-[(6-amino-3-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348304
5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
CID 63842404
5-N-(4-methylpentyl)pyridine-2,5-diamine
CID 63004274
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
N-(6-amino-3-pyridinyl)-2-methylpentanamide
CID 62899385
5-N-(7-methyloctyl)pyridine-2,5-diamine
CID 107814726
N-(6-amino-3-pyridinyl)hydroxylamine
CID 143484330
(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
5-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 61166078
5-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63982053

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2-[(6-amino-3-pyridinyl)amino]propan-1-ol (CID 43498943) is 2-[(6-amino-3-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)amino]propan-1-ol is CC(CO)Nc1ccc(N)nc1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)amino]propan-1-ol?
The InChIKey is HSFUXVPWJFHSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(5-12)11-7-2-3-8(9)10-4-7/h2-4,6,11-12H,5H2,1H3,(H2,9,10).
What are the key properties of 2-[(6-amino-3-pyridinyl)amino]propan-1-ol?
2-[(6-amino-3-pyridinyl)amino]propan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 43498943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).