propane-1,2-diamine;hydrate

C3H12N2O — CID 74405859

IUPACpropane-1,2-diamine;hydrate
SMILESCC(N)CN.O
InChIInChI=1S/C3H10N2.H2O/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H2
InChIKeyXHVCFYXTEOCRFZ-UHFFFAOYSA-N
MW92.14 g/mol
LogP-1.53
Rot. Bonds1

About propane-1,2-diamine;hydrate

propane-1,2-diamine;hydrate (PubChem CID 74405859) has the molecular formula C3H12N2O and a molecular weight of 92.14 g/mol. Its IUPAC name is propane-1,2-diamine;hydrate.

Molecular Properties

Compound Namepropane-1,2-diamine;hydrate
PubChem CID74405859
Molecular FormulaC3H12N2O
Molecular Weight92.14 g/mol
Exact Mass92.09
IUPAC Namepropane-1,2-diamine;hydrate
SMILESCC(N)CN.O
InChIInChI=1S/C3H10N2.H2O/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H2
InChIKeyXHVCFYXTEOCRFZ-UHFFFAOYSA-N
XLogP-1.53
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Propylenediamine
CID 6567
1,2-Diaminopropane, (S)-
CID 642322
2,3-Butanediamine
CID 136362
1,2-Diaminopropane, (R)-
CID 447820
2,3-Butanediamine, (+)-
CID 7021489
2,3-Butanediamine, (-)-
CID 7332379
rel-(2R,3S)-2,3-Butanediamine
CID 12306169
Propane-1,2-diamine--hydrogen chloride (1/1)
CID 18976113
(~2~H_6_)Propane-1,2-diamine
CID 46781228
i-Propylamin-hydrat
CID 18544729
1,2-Diaminopropane hydrobromide
CID 18962211
Hydroxypropylenediamine
CID 22185305

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diamine;hydrate?
The IUPAC name of propane-1,2-diamine;hydrate (CID 74405859) is propane-1,2-diamine;hydrate.
What is the SMILES notation for propane-1,2-diamine;hydrate?
The canonical SMILES for propane-1,2-diamine;hydrate is CC(N)CN.O.
What is the InChIKey of propane-1,2-diamine;hydrate?
The InChIKey is XHVCFYXTEOCRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.H2O/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H2.
What are the key properties of propane-1,2-diamine;hydrate?
propane-1,2-diamine;hydrate has a molecular weight of 92.14 g/mol, XLogP of -1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diamine;hydrate is sourced from PubChem (CID 74405859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).