1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride

C9H23ClN6 — CID 176540701

IUPAC1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
SMILES[Cl-].[H+].[H]/N=C(\N)N/C(N)=N/CCCN(CC)CC
InChIInChI=1S/C9H22N6.ClH/c1-3-15(4-2)7-5-6-13-9(12)14-8(10)11;/h3-7H2,1-2H3,(H6,10,11,12,13,14);1H
InChIKeyGBNPLWLDSSLHCE-UHFFFAOYSA-N
MW250.78 g/mol
LogP-3.37
Rot. Bonds6

About 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride

1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride (PubChem CID 176540701) has the molecular formula C9H23ClN6 and a molecular weight of 250.78 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
PubChem CID176540701
Molecular FormulaC9H23ClN6
Molecular Weight250.78 g/mol
Exact Mass250.17
IUPAC Name1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
SMILES[Cl-].[H+].[H]/N=C(\N)N/C(N)=N/CCCN(CC)CC
InChIInChI=1S/C9H22N6.ClH/c1-3-15(4-2)7-5-6-13-9(12)14-8(10)11;/h3-7H2,1-2H3,(H6,10,11,12,13,14);1H
InChIKeyGBNPLWLDSSLHCE-UHFFFAOYSA-N
XLogP-3.37
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.78
LogP ≤ 5-3.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
N'-[3-(diethylamino)propyl]-N-[N'-[3-(diethylamino)propyl]carbamimidoyl]-2-methylpropanimidamide
CID 166723390
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
[[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium
CID 6332029
CID 176522224
CID 176522224
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride?
The IUPAC name of 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride (CID 176540701) is 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride.
What is the SMILES notation for 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride?
The canonical SMILES for 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride is [Cl-].[H+].[H]/N=C(\N)N/C(N)=N/CCCN(CC)CC.
What is the InChIKey of 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride?
The InChIKey is GBNPLWLDSSLHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N6.ClH/c1-3-15(4-2)7-5-6-13-9(12)14-8(10)11;/h3-7H2,1-2H3,(H6,10,11,12,13,14);1H.
What are the key properties of 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride?
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride has a molecular weight of 250.78 g/mol, XLogP of -3.37, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride is sourced from PubChem (CID 176540701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).