ethanol;propane-1,2-diamine

C9H28N2O3 — CID 161334035

IUPACethanol;propane-1,2-diamine
SMILESCC(N)CN.CCO.CCO.CCO
InChIInChI=1S/C3H10N2.3C2H6O/c1-3(5)2-4;3*1-2-3/h3H,2,4-5H2,1H3;3*3H,2H2,1H3
InChIKeyVLUHRHGSGUOWIN-UHFFFAOYSA-N
MW212.33 g/mol
LogP-0.71
Rot. Bonds1

About ethanol;propane-1,2-diamine

ethanol;propane-1,2-diamine (PubChem CID 161334035) has the molecular formula C9H28N2O3 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethanol;propane-1,2-diamine.

Molecular Properties

Compound Nameethanol;propane-1,2-diamine
PubChem CID161334035
Molecular FormulaC9H28N2O3
Molecular Weight212.33 g/mol
Exact Mass212.21
IUPAC Nameethanol;propane-1,2-diamine
SMILESCC(N)CN.CCO.CCO.CCO
InChIInChI=1S/C3H10N2.3C2H6O/c1-3(5)2-4;3*1-2-3/h3H,2,4-5H2,1H3;3*3H,2H2,1H3
InChIKeyVLUHRHGSGUOWIN-UHFFFAOYSA-N
XLogP-0.71
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-propane-1,2-diamine
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CID 173365109
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CID 22617394
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CID 161476573
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CID 87429933
ethanol;heptane;propan-2-amine
CID 87057720
ethanol;iodomethane
CID 159089144
ethanol;methanamine
CID 174381315
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Frequently Asked Questions

What is the IUPAC name of ethanol;propane-1,2-diamine?
The IUPAC name of ethanol;propane-1,2-diamine (CID 161334035) is ethanol;propane-1,2-diamine.
What is the SMILES notation for ethanol;propane-1,2-diamine?
The canonical SMILES for ethanol;propane-1,2-diamine is CC(N)CN.CCO.CCO.CCO.
What is the InChIKey of ethanol;propane-1,2-diamine?
The InChIKey is VLUHRHGSGUOWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.3C2H6O/c1-3(5)2-4;3*1-2-3/h3H,2,4-5H2,1H3;3*3H,2H2,1H3.
What are the key properties of ethanol;propane-1,2-diamine?
ethanol;propane-1,2-diamine has a molecular weight of 212.33 g/mol, XLogP of -0.71, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;propane-1,2-diamine is sourced from PubChem (CID 161334035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).