1,2-diaminopentane-1,3-diol

C5H14N2O2 — CID 57066183

IUPAC1,2-diaminopentane-1,3-diol
SMILESCCC(O)C(N)C(N)O
InChIInChI=1S/C5H14N2O2/c1-2-3(8)4(6)5(7)9/h3-5,8-9H,2,6-7H2,1H3
InChIKeyLFVUIAIZBCTAOC-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.64
Rot. Bonds3

About 1,2-diaminopentane-1,3-diol

1,2-diaminopentane-1,3-diol (PubChem CID 57066183) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,2-diaminopentane-1,3-diol.

Molecular Properties

Compound Name1,2-diaminopentane-1,3-diol
PubChem CID57066183
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name1,2-diaminopentane-1,3-diol
SMILESCCC(O)C(N)C(N)O
InChIInChI=1S/C5H14N2O2/c1-2-3(8)4(6)5(7)9/h3-5,8-9H,2,6-7H2,1H3
InChIKeyLFVUIAIZBCTAOC-UHFFFAOYSA-N
XLogP-1.64
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-aminohexane-2,4-diol
CID 144515569
1,2-diaminohexane-1,3-diol
CID 91068082
(3R,4S)-4-aminohexan-3-ol
CID 640991
(2S)-1,2-diaminopentan-3-ol
CID 129142351
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
1,2-diaminopentane-1,3,5-triol
CID 57298099
1-aminopropan-1-ol;hydrochloride
CID 18547293
4-amino-5,5-dimethylhexan-3-ol
CID 164650293
2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol
CID 159063171
1,2-diaminohexane-3,4-diol
CID 57132033
(2R,3S,4R)-2-aminohexane-1,3,4-triol
CID 89364894
1-aminooctadecane-1,2-diol
CID 54498715

Frequently Asked Questions

What is the IUPAC name of 1,2-diaminopentane-1,3-diol?
The IUPAC name of 1,2-diaminopentane-1,3-diol (CID 57066183) is 1,2-diaminopentane-1,3-diol.
What is the SMILES notation for 1,2-diaminopentane-1,3-diol?
The canonical SMILES for 1,2-diaminopentane-1,3-diol is CCC(O)C(N)C(N)O.
What is the InChIKey of 1,2-diaminopentane-1,3-diol?
The InChIKey is LFVUIAIZBCTAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-2-3(8)4(6)5(7)9/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of 1,2-diaminopentane-1,3-diol?
1,2-diaminopentane-1,3-diol has a molecular weight of 134.18 g/mol, XLogP of -1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diaminopentane-1,3-diol is sourced from PubChem (CID 57066183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).