4-aminopentane-1,2-diol

C5H13NO2 — CID 12701364

IUPAC4-aminopentane-1,2-diol
SMILESCC(N)CC(O)CO
InChIInChI=1S/C5H13NO2/c1-4(6)2-5(8)3-7/h4-5,7-8H,2-3,6H2,1H3
InChIKeyYFBHVTQPFSQXFB-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.92
Rot. Bonds3

About 4-aminopentane-1,2-diol

4-aminopentane-1,2-diol (PubChem CID 12701364) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 4-aminopentane-1,2-diol.

Molecular Properties

Compound Name4-aminopentane-1,2-diol
PubChem CID12701364
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name4-aminopentane-1,2-diol
SMILESCC(N)CC(O)CO
InChIInChI=1S/C5H13NO2/c1-4(6)2-5(8)3-7/h4-5,7-8H,2-3,6H2,1H3
InChIKeyYFBHVTQPFSQXFB-UHFFFAOYSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methylpentane-1,2-diol;sulfane
CID 159079830
4-aminohexane-1,2-diol
CID 170888613
4-aminohexane-1,2-diol
CID 18615667
3-[(2S)-2-aminopropyl]sulfanylpropane-1,2-diol
CID 104889279
2-aminopropan-1-ol;hydrofluoride
CID 22617394
4-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 158045647
(2R,3R,5R)-hexane-1,2,3,5,6-pentol
CID 6451627
propane-1,2,3-triol;propan-2-ol;hydrochloride
CID 174488065
potassium;hydride;propane-1,2,3-triol
CID 173019679
(4S)-2-amino-4,5-dihydroxypentanoic acid
CID 58205958
2-(4-amino-2-ethylpentyl)propane-1,3-diol
CID 89289933
1-iodoethanol;propane-1,2,3-triol
CID 175431347

Frequently Asked Questions

What is the IUPAC name of 4-aminopentane-1,2-diol?
The IUPAC name of 4-aminopentane-1,2-diol (CID 12701364) is 4-aminopentane-1,2-diol.
What is the SMILES notation for 4-aminopentane-1,2-diol?
The canonical SMILES for 4-aminopentane-1,2-diol is CC(N)CC(O)CO.
What is the InChIKey of 4-aminopentane-1,2-diol?
The InChIKey is YFBHVTQPFSQXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4(6)2-5(8)3-7/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 4-aminopentane-1,2-diol?
4-aminopentane-1,2-diol has a molecular weight of 119.16 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentane-1,2-diol is sourced from PubChem (CID 12701364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).