3-amino-3-(3-amino-4-pyridinyl)propan-1-ol

C8H13N3O — CID 55292643

IUPAC3-amino-3-(3-amino-4-pyridinyl)propan-1-ol
SMILESNc1cnccc1C(N)CCO
InChIInChI=1S/C8H13N3O/c9-7(2-4-12)6-1-3-11-5-8(6)10/h1,3,5,7,12H,2,4,9-10H2
InChIKeyYIFMWXLMQQUGLW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.05
Rot. Bonds3

About 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol

3-amino-3-(3-amino-4-pyridinyl)propan-1-ol (PubChem CID 55292643) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-amino-4-pyridinyl)propan-1-ol
PubChem CID55292643
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-amino-3-(3-amino-4-pyridinyl)propan-1-ol
SMILESNc1cnccc1C(N)CCO
InChIInChI=1S/C8H13N3O/c9-7(2-4-12)6-1-3-11-5-8(6)10/h1,3,5,7,12H,2,4,9-10H2
InChIKeyYIFMWXLMQQUGLW-UHFFFAOYSA-N
XLogP0.05
TPSA85.16 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 ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid
CID 55269515
4-(1-amino-2-cyclopropylethyl)pyridin-3-amine
CID 55292075
3-(3-amino-4-pyridinyl)pentane-1,4-diamine
CID 90212207
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
2-amino-2-(3-amino-4-pyridinyl)acetic acid
CID 55292640
(1S,2S)-1-amino-1-(3-amino-4-pyridinyl)propan-2-ol
CID 55293070
1-(3-amino-4-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873543
3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
CID 170827517
3-amino-3-(2,3-dimethyl-4-pyridinyl)propan-1-ol
CID 84657502
(3R)-3-amino-3-(2-amino-3-pyridinyl)propan-1-ol;hydrochloride
CID 171211346
(3R)-3-amino-3-(3-bromo-2-chloro-4-pyridinyl)propan-1-ol
CID 130736600
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
CID 131144046

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol (CID 55292643) is 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol is Nc1cnccc1C(N)CCO.
What is the InChIKey of 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol?
The InChIKey is YIFMWXLMQQUGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7(2-4-12)6-1-3-11-5-8(6)10/h1,3,5,7,12H,2,4,9-10H2.
What are the key properties of 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol?
3-amino-3-(3-amino-4-pyridinyl)propan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-amino-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 55292643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).