3-aminopentane-1,4-diol

C5H13NO2 — CID 23064801

IUPAC3-aminopentane-1,4-diol
SMILESCC(O)C(N)CCO
InChIInChI=1S/C5H13NO2/c1-4(8)5(6)2-3-7/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVUEXEZAJGCYGFI-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.92
Rot. Bonds3

About 3-aminopentane-1,4-diol

3-aminopentane-1,4-diol (PubChem CID 23064801) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 3-aminopentane-1,4-diol.

Molecular Properties

Compound Name3-aminopentane-1,4-diol
PubChem CID23064801
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name3-aminopentane-1,4-diol
SMILESCC(O)C(N)CCO
InChIInChI=1S/C5H13NO2/c1-4(8)5(6)2-3-7/h4-5,7-8H,2-3,6H2,1H3
InChIKeyVUEXEZAJGCYGFI-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

3-amino-5-methoxyhexane-1,4-diol
CID 142060035
3-aminooctan-2-ol
CID 14271184
2-aminopropan-1-ol;hydrofluoride
CID 22617394
(2S)-3-aminobutan-2-ol
CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265
3-aminoicosan-2-ol
CID 19964089
3-amino-4-ethylhexan-1-ol
CID 17039430
butane-1,3-diol
CID 159666523
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
4,4-diamino-3-methylbutan-1-ol
CID 87068765
(2R,3R)-3-aminobutan-2-ol;hydron
CID 173377832
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607

Frequently Asked Questions

What is the IUPAC name of 3-aminopentane-1,4-diol?
The IUPAC name of 3-aminopentane-1,4-diol (CID 23064801) is 3-aminopentane-1,4-diol.
What is the SMILES notation for 3-aminopentane-1,4-diol?
The canonical SMILES for 3-aminopentane-1,4-diol is CC(O)C(N)CCO.
What is the InChIKey of 3-aminopentane-1,4-diol?
The InChIKey is VUEXEZAJGCYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4(8)5(6)2-3-7/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-aminopentane-1,4-diol?
3-aminopentane-1,4-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 3-aminopentane-1,4-diol is sourced from PubChem (CID 23064801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).