2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride

C14H26ClN5O — CID 176531380

IUPAC2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride
SMILESCl.OCCc1ccccc1.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C8H10O.C6H15N5.ClH/c9-7-6-8-4-2-1-3-5-8;1-2-3-4-10-6(9)11-5(7)8;/h1-5,9H,6-7H2;2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyGKXDIQTVGQIGMA-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.23
Rot. Bonds5

About 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride

2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride (PubChem CID 176531380) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride
PubChem CID176531380
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC Name2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride
SMILESCl.OCCc1ccccc1.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C8H10O.C6H15N5.ClH/c9-7-6-8-4-2-1-3-5-8;1-2-3-4-10-6(9)11-5(7)8;/h1-5,9H,6-7H2;2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyGKXDIQTVGQIGMA-UHFFFAOYSA-N
XLogP1.23
TPSA120.51 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.23
H-Bond Donors ≤ 55
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'}

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Related Compounds

2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
benzene-1,3-diamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176543735
2-butyl-1-carbamimidoylguanidine;10H-phenothiazine;hydrochloride
CID 176531382
CID 176522224
CID 176522224
2-butyl-1-carbamimidoylguanidine;1,2-diphenylguanidine
CID 176533869
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
1-carbamimidoyl-2-hexylguanidine
CID 176518657
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485
2-benzhydryloxy-N,N-dimethylethanamine;2-butyl-1-carbamimidoylguanidine;dihydrochloride
CID 176527084
(E)-but-2-enedioic acid;2-butyl-1-carbamimidoylguanidine
CID 176533786
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride?
The IUPAC name of 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride (CID 176531380) is 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride.
What is the SMILES notation for 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride?
The canonical SMILES for 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride is Cl.OCCc1ccccc1.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride?
The InChIKey is GKXDIQTVGQIGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H15N5.ClH/c9-7-6-8-4-2-1-3-5-8;1-2-3-4-10-6(9)11-5(7)8;/h1-5,9H,6-7H2;2-4H2,1H3,(H6,7,8,9,10,11);1H.
What are the key properties of 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride?
2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.23, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride is sourced from PubChem (CID 176531380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).