propane-1,2-diamine;hydrobromide

C3H11BrN2 — CID 18962211

IUPACpropane-1,2-diamine;hydrobromide
SMILESBr.CC(N)CN
InChIInChI=1S/C3H10N2.BrH/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H
InChIKeyWFWMQVKKOITTHO-UHFFFAOYSA-N
MW155.04 g/mol
LogP-0.13
Rot. Bonds1

About propane-1,2-diamine;hydrobromide

propane-1,2-diamine;hydrobromide (PubChem CID 18962211) has the molecular formula C3H11BrN2 and a molecular weight of 155.04 g/mol. Its IUPAC name is propane-1,2-diamine;hydrobromide.

Molecular Properties

Compound Namepropane-1,2-diamine;hydrobromide
PubChem CID18962211
Molecular FormulaC3H11BrN2
Molecular Weight155.04 g/mol
Exact Mass154.01
IUPAC Namepropane-1,2-diamine;hydrobromide
SMILESBr.CC(N)CN
InChIInChI=1S/C3H10N2.BrH/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H
InChIKeyWFWMQVKKOITTHO-UHFFFAOYSA-N
XLogP-0.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.04
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Isopropylamine
CID 6363
Propylenediamine
CID 6567
1,2-Diaminopropane, (S)-
CID 642322
Isopropylaminium
CID 3364502
2,3-Butanediamine
CID 136362
1,2,3-Triaminopropane
CID 432418
(2R)-propane-1,2-diamine dihydrochloride
CID 12217444
1,2-Butanediamine
CID 138231
1,2-Diaminopropane, (R)-
CID 447820
(2S)-propane-1,2-diamine dihydrochloride
CID 12217445
Isopropyl-d7-amine
CID 12203880
Iso-propyl-1,1,1,3,3,3-D6-amine
CID 12203884

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diamine;hydrobromide?
The IUPAC name of propane-1,2-diamine;hydrobromide (CID 18962211) is propane-1,2-diamine;hydrobromide.
What is the SMILES notation for propane-1,2-diamine;hydrobromide?
The canonical SMILES for propane-1,2-diamine;hydrobromide is Br.CC(N)CN.
What is the InChIKey of propane-1,2-diamine;hydrobromide?
The InChIKey is WFWMQVKKOITTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.BrH/c1-3(5)2-4;/h3H,2,4-5H2,1H3;1H.
What are the key properties of propane-1,2-diamine;hydrobromide?
propane-1,2-diamine;hydrobromide has a molecular weight of 155.04 g/mol, XLogP of -0.13, 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;hydrobromide is sourced from PubChem (CID 18962211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).