propane-1,1-diamine

C3H10N2 — CID 14954072

IUPACpropane-1,1-diamine
SMILESCCC(N)N
InChIInChI=1S/C3H10N2/c1-2-3(4)5/h3H,2,4-5H2,1H3
InChIKeyGGHDAUPFEBTORZ-UHFFFAOYSA-N
MW74.13 g/mol
LogP-0.36
Rot. Bonds1

About propane-1,1-diamine

propane-1,1-diamine (PubChem CID 14954072) has the molecular formula C3H10N2 and a molecular weight of 74.13 g/mol. Its IUPAC name is propane-1,1-diamine.

Molecular Properties

Compound Namepropane-1,1-diamine
PubChem CID14954072
Molecular FormulaC3H10N2
Molecular Weight74.13 g/mol
Exact Mass74.08
IUPAC Namepropane-1,1-diamine
SMILESCCC(N)N
InChIInChI=1S/C3H10N2/c1-2-3(4)5/h3H,2,4-5H2,1H3
InChIKeyGGHDAUPFEBTORZ-UHFFFAOYSA-N
XLogP-0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Propanediamine
CID 428
Propylamine
CID 7852
Propylamine hydrochloride
CID 11165
Trimethylenediaminium
CID 4030255
Propylamine Hydroiodide
CID 91972164
Propylazanium chloride
CID 11789132
Propylamine Hydrobromide
CID 12203661
n-Propylamine
CID 3483736
Propylamine-15N hydrochloride
CID 16213611
Propan-1-(~15~N)amine
CID 16213612
(~2~H_6_)Propane-1,3-diamine
CID 54466908
Propyl-d7-amine
CID 59248895

Frequently Asked Questions

What is the IUPAC name of propane-1,1-diamine?
The IUPAC name of propane-1,1-diamine (CID 14954072) is propane-1,1-diamine.
What is the SMILES notation for propane-1,1-diamine?
The canonical SMILES for propane-1,1-diamine is CCC(N)N.
What is the InChIKey of propane-1,1-diamine?
The InChIKey is GGHDAUPFEBTORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2/c1-2-3(4)5/h3H,2,4-5H2,1H3.
What are the key properties of propane-1,1-diamine?
propane-1,1-diamine has a molecular weight of 74.13 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,1-diamine is sourced from PubChem (CID 14954072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).