1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride

C10H24ClN5 — CID 176518157

IUPAC1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/CC(CC)CCCC
InChIInChI=1S/C10H23N5.ClH/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12;/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15);1H
InChIKeyDXSBUCPFFVHNST-UHFFFAOYSA-N
MW249.79 g/mol
LogP1.42
Rot. Bonds6

About 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride

1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride (PubChem CID 176518157) has the molecular formula C10H24ClN5 and a molecular weight of 249.79 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride
PubChem CID176518157
Molecular FormulaC10H24ClN5
Molecular Weight249.79 g/mol
Exact Mass249.17
IUPAC Name1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/CC(CC)CCCC
InChIInChI=1S/C10H23N5.ClH/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12;/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15);1H
InChIKeyDXSBUCPFFVHNST-UHFFFAOYSA-N
XLogP1.42
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride 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-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;hydrochloride
CID 18968508
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
1-carbamimidoyl-2-hexylguanidine
CID 176518657
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485
N-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-N'-(2-ethylhexyl)methanimidamide
CID 87517335
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
4-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]-N'-[N'-(2-ethylhexyl)carbamimidoyl]piperidine-1-carboximidamide
CID 176680172

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride (CID 176518157) is 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride is Cl.[H]/N=C(\N)N/C(N)=N/CC(CC)CCCC.
What is the InChIKey of 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride?
The InChIKey is DXSBUCPFFVHNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5.ClH/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12;/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15);1H.
What are the key properties of 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride?
1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 1.42, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-ethylhexyl)guanidine;hydrochloride is sourced from PubChem (CID 176518157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).