1-methyl-1-propylguanidine;hydrochloride

C5H14ClN3 — CID 172994316

IUPAC1-methyl-1-propylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)CCC
InChIInChI=1S/C5H13N3.ClH/c1-3-4-8(2)5(6)7;/h3-4H2,1-2H3,(H3,6,7);1H
InChIKeyCEJATZBWOBXRQD-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.64
Rot. Bonds2

About 1-methyl-1-propylguanidine;hydrochloride

1-methyl-1-propylguanidine;hydrochloride (PubChem CID 172994316) has the molecular formula C5H14ClN3 and a molecular weight of 151.64 g/mol. Its IUPAC name is 1-methyl-1-propylguanidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-1-propylguanidine;hydrochloride
PubChem CID172994316
Molecular FormulaC5H14ClN3
Molecular Weight151.64 g/mol
Exact Mass151.09
IUPAC Name1-methyl-1-propylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)CCC
InChIInChI=1S/C5H13N3.ClH/c1-3-4-8(2)5(6)7;/h3-4H2,1-2H3,(H3,6,7);1H
InChIKeyCEJATZBWOBXRQD-UHFFFAOYSA-N
XLogP0.64
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-propylguanidine;hydrochloride?
The IUPAC name of 1-methyl-1-propylguanidine;hydrochloride (CID 172994316) is 1-methyl-1-propylguanidine;hydrochloride.
What is the SMILES notation for 1-methyl-1-propylguanidine;hydrochloride?
The canonical SMILES for 1-methyl-1-propylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(C)CCC.
What is the InChIKey of 1-methyl-1-propylguanidine;hydrochloride?
The InChIKey is CEJATZBWOBXRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.ClH/c1-3-4-8(2)5(6)7;/h3-4H2,1-2H3,(H3,6,7);1H.
What are the key properties of 1-methyl-1-propylguanidine;hydrochloride?
1-methyl-1-propylguanidine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propylguanidine;hydrochloride is sourced from PubChem (CID 172994316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).