3-aminopropanimidamide;hydrobromide

C3H10BrN3 — CID 12715904

IUPAC3-aminopropanimidamide;hydrobromide
SMILESBr.[H]/N=C(\N)CCN
InChIInChI=1S/C3H9N3.BrH/c4-2-1-3(5)6;/h1-2,4H2,(H3,5,6);1H
InChIKeyZETQEMOLHGSXHQ-UHFFFAOYSA-N
MW168.04 g/mol
LogP-0.15
Rot. Bonds2

About 3-aminopropanimidamide;hydrobromide

3-aminopropanimidamide;hydrobromide (PubChem CID 12715904) has the molecular formula C3H10BrN3 and a molecular weight of 168.04 g/mol. Its IUPAC name is 3-aminopropanimidamide;hydrobromide.

Molecular Properties

Compound Name3-aminopropanimidamide;hydrobromide
PubChem CID12715904
Molecular FormulaC3H10BrN3
Molecular Weight168.04 g/mol
Exact Mass167.01
IUPAC Name3-aminopropanimidamide;hydrobromide
SMILESBr.[H]/N=C(\N)CCN
InChIInChI=1S/C3H9N3.BrH/c4-2-1-3(5)6;/h1-2,4H2,(H3,5,6);1H
InChIKeyZETQEMOLHGSXHQ-UHFFFAOYSA-N
XLogP-0.15
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Aminopropanimidamide dihydrochloride
CID 11693945
3-Aminopropanimidamide
CID 418996
4-Aminobutanimidamide
CID 21507395
(3-Amino-3-azaniumylidenepropyl)azanium
CID 21594074
2-Aminoacetamidine hydrobromide
CID 12453566
3-Aminopropanimidamide;dihydrobromide
CID 12715905
1,4-Diaminobutylideneazanium
CID 59089389
3-Aminopropanimidamide hydrochloride
CID 154832108
(3-Amino-3-azaniumylidenepropyl)azanium dibromide
CID 135536143

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanimidamide;hydrobromide?
The IUPAC name of 3-aminopropanimidamide;hydrobromide (CID 12715904) is 3-aminopropanimidamide;hydrobromide.
What is the SMILES notation for 3-aminopropanimidamide;hydrobromide?
The canonical SMILES for 3-aminopropanimidamide;hydrobromide is Br.[H]/N=C(\N)CCN.
What is the InChIKey of 3-aminopropanimidamide;hydrobromide?
The InChIKey is ZETQEMOLHGSXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.BrH/c4-2-1-3(5)6;/h1-2,4H2,(H3,5,6);1H.
What are the key properties of 3-aminopropanimidamide;hydrobromide?
3-aminopropanimidamide;hydrobromide has a molecular weight of 168.04 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanimidamide;hydrobromide is sourced from PubChem (CID 12715904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).