1,3-diamino-2-ethoxypropan-2-ol

C5H14N2O2 — CID 174780599

IUPAC1,3-diamino-2-ethoxypropan-2-ol
SMILESCCOC(O)(CN)CN
InChIInChI=1S/C5H14N2O2/c1-2-9-5(8,3-6)4-7/h8H,2-4,6-7H2,1H3
InChIKeyBNUBONYYLUUJLD-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.37
Rot. Bonds4

About 1,3-diamino-2-ethoxypropan-2-ol

1,3-diamino-2-ethoxypropan-2-ol (PubChem CID 174780599) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,3-diamino-2-ethoxypropan-2-ol.

Molecular Properties

Compound Name1,3-diamino-2-ethoxypropan-2-ol
PubChem CID174780599
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name1,3-diamino-2-ethoxypropan-2-ol
SMILESCCOC(O)(CN)CN
InChIInChI=1S/C5H14N2O2/c1-2-9-5(8,3-6)4-7/h8H,2-4,6-7H2,1H3
InChIKeyBNUBONYYLUUJLD-UHFFFAOYSA-N
XLogP-1.37
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
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

1-amino-2-ethoxypropan-2-ol
CID 174792064
1,3-diamino-2-methoxypropan-2-ol
CID 163826611
2-amino-1-(dimethylamino)-1-ethoxyethanol
CID 172791475
2-ethoxy-2-hydroxypropanediamide
CID 45122517
2-ethoxy-2-ethylbutan-1-amine
CID 65051068
2-ethoxy-1,1,1,5,5,5-hexafluoropent-3-yn-2-ol
CID 140706155
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
1-amino-1-ethoxy-2-ethylbutan-1-ol
CID 18005930
1-aminobutane-2,2-diol
CID 158169246
(1-amino-2-hydroxybutan-2-yl) 2-chloroacetate
CID 139625549
titanium;1,1,2-triethoxy-2-methylpropan-1-ol
CID 87321187
1,2-dichloro-1-ethoxyethanol
CID 141026813

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-2-ethoxypropan-2-ol?
The IUPAC name of 1,3-diamino-2-ethoxypropan-2-ol (CID 174780599) is 1,3-diamino-2-ethoxypropan-2-ol.
What is the SMILES notation for 1,3-diamino-2-ethoxypropan-2-ol?
The canonical SMILES for 1,3-diamino-2-ethoxypropan-2-ol is CCOC(O)(CN)CN.
What is the InChIKey of 1,3-diamino-2-ethoxypropan-2-ol?
The InChIKey is BNUBONYYLUUJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-2-9-5(8,3-6)4-7/h8H,2-4,6-7H2,1H3.
What are the key properties of 1,3-diamino-2-ethoxypropan-2-ol?
1,3-diamino-2-ethoxypropan-2-ol has a molecular weight of 134.18 g/mol, XLogP of -1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-2-ethoxypropan-2-ol is sourced from PubChem (CID 174780599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).