1-amino-2-propylguanidine;hydrochloride

C4H13ClN4 — CID 173441996

IUPAC1-amino-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)NN.Cl
InChIInChI=1S/C4H12N4.ClH/c1-2-3-7-4(5)8-6;/h2-3,6H2,1H3,(H3,5,7,8);1H
InChIKeyOIFSWMKNXGKBAW-UHFFFAOYSA-N
MW152.63 g/mol
LogP-0.40
Rot. Bonds2

About 1-amino-2-propylguanidine;hydrochloride

1-amino-2-propylguanidine;hydrochloride (PubChem CID 173441996) has the molecular formula C4H13ClN4 and a molecular weight of 152.63 g/mol. Its IUPAC name is 1-amino-2-propylguanidine;hydrochloride.

Molecular Properties

Compound Name1-amino-2-propylguanidine;hydrochloride
PubChem CID173441996
Molecular FormulaC4H13ClN4
Molecular Weight152.63 g/mol
Exact Mass152.08
IUPAC Name1-amino-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)NN.Cl
InChIInChI=1S/C4H12N4.ClH/c1-2-3-7-4(5)8-6;/h2-3,6H2,1H3,(H3,5,7,8);1H
InChIKeyOIFSWMKNXGKBAW-UHFFFAOYSA-N
XLogP-0.40
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.63
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-[2-[[amino(hydrazinyl)methylidene]amino]ethyl]guanidine
CID 55279146
ethane;1-hydroxy-2-propylguanidine
CID 162518458
1-amino-2-(3-butoxypropyl)guanidine
CID 104864981
ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium
CID 158727971
1-amino-2-(3-aminopropyl)guanidine
CID 130567724
1-amino-2-[[(E)-[amino(hydrazinyl)methylidene]amino]methyl]guanidine
CID 131852318
1-amino-2-(4-methoxybutyl)guanidine
CID 64866664
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propylguanidine
CID 106190240
3-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 10558754
1-[3-(hydroxymethyl)pentan-3-yl]-2-propylguanidine
CID 62519833
2-propyl-1-(2,4,4-trimethylpentan-2-yl)guanidine
CID 62378563
1-amino-2-[2-(methanesulfonamido)ethyl]guanidine
CID 64867513

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-propylguanidine;hydrochloride?
The IUPAC name of 1-amino-2-propylguanidine;hydrochloride (CID 173441996) is 1-amino-2-propylguanidine;hydrochloride.
What is the SMILES notation for 1-amino-2-propylguanidine;hydrochloride?
The canonical SMILES for 1-amino-2-propylguanidine;hydrochloride is CCC/N=C(\N)NN.Cl.
What is the InChIKey of 1-amino-2-propylguanidine;hydrochloride?
The InChIKey is OIFSWMKNXGKBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4.ClH/c1-2-3-7-4(5)8-6;/h2-3,6H2,1H3,(H3,5,7,8);1H.
What are the key properties of 1-amino-2-propylguanidine;hydrochloride?
1-amino-2-propylguanidine;hydrochloride has a molecular weight of 152.63 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-propylguanidine;hydrochloride is sourced from PubChem (CID 173441996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).