2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride

C7H18ClN5 — CID 176546682

IUPAC2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N=C(N)N(CC)CCC
InChIInChI=1S/C7H17N5.ClH/c1-3-5-12(4-2)7(10)11-6(8)9;/h3-5H2,1-2H3,(H5,8,9,10,11);1H
InChIKeyVHVAPMSIYVZXPM-UHFFFAOYSA-N
MW207.71 g/mol
LogP0.35
Rot. Bonds3

About 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride

2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride (PubChem CID 176546682) has the molecular formula C7H18ClN5 and a molecular weight of 207.71 g/mol. Its IUPAC name is 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride.

Molecular Properties

Compound Name2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
PubChem CID176546682
Molecular FormulaC7H18ClN5
Molecular Weight207.71 g/mol
Exact Mass207.13
IUPAC Name2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N=C(N)N(CC)CCC
InChIInChI=1S/C7H17N5.ClH/c1-3-5-12(4-2)7(10)11-6(8)9;/h3-5H2,1-2H3,(H5,8,9,10,11);1H
InChIKeyVHVAPMSIYVZXPM-UHFFFAOYSA-N
XLogP0.35
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.71
LogP ≤ 50.35
H-Bond Donors ≤ 53
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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Related Compounds

2-carbamimidoyl-1,1-dipentylguanidine;hydrochloride
CID 176530565
2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride
CID 176518115
1-tert-butyl-2-carbamimidoyl-1-propylguanidine
CID 176525603
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine
CID 176546751
1-butyl-1-tert-butyl-2-carbamimidoylguanidine
CID 176525602
2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900
1-ethyl-1,2-dipropylguanidine
CID 62359189
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176516996
2-carbamimidoyl-1,1-bis(trideuteriomethyl)guanidine;hydrochloride
CID 176525164
2-carbamimidoyl-1-(2-cyanoethyl)-1-methylguanidine
CID 176546720

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride?
The IUPAC name of 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride (CID 176546682) is 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride.
What is the SMILES notation for 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride?
The canonical SMILES for 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride is Cl.[H]/N=C(\N)N=C(N)N(CC)CCC.
What is the InChIKey of 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride?
The InChIKey is VHVAPMSIYVZXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5.ClH/c1-3-5-12(4-2)7(10)11-6(8)9;/h3-5H2,1-2H3,(H5,8,9,10,11);1H.
What are the key properties of 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride?
2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride has a molecular weight of 207.71 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-ethyl-1-propylguanidine;hydrochloride is sourced from PubChem (CID 176546682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).