butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride

C10H26ClN5O — CID 176533535

IUPACbutan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride
SMILESCCCCO.Cl.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.C4H10O.ClH/c1-2-3-4-10-6(9)11-5(7)8;1-2-3-4-5;/h2-4H2,1H3,(H6,7,8,9,10,11);5H,2-4H2,1H3;1H
InChIKeyFRBWGQVCTXKNJS-UHFFFAOYSA-N
MW267.80 g/mol
LogP0.78
Rot. Bonds5

About butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride

butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride (PubChem CID 176533535) has the molecular formula C10H26ClN5O and a molecular weight of 267.80 g/mol. Its IUPAC name is butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride.

Molecular Properties

Compound Namebutan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride
PubChem CID176533535
Molecular FormulaC10H26ClN5O
Molecular Weight267.80 g/mol
Exact Mass267.18
IUPAC Namebutan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride
SMILESCCCCO.Cl.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.C4H10O.ClH/c1-2-3-4-10-6(9)11-5(7)8;1-2-3-4-5;/h2-4H2,1H3,(H6,7,8,9,10,11);5H,2-4H2,1H3;1H
InChIKeyFRBWGQVCTXKNJS-UHFFFAOYSA-N
XLogP0.78
TPSA120.51 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 50.78
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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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride?
The IUPAC name of butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride (CID 176533535) is butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride.
What is the SMILES notation for butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride?
The canonical SMILES for butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride is CCCCO.Cl.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride?
The InChIKey is FRBWGQVCTXKNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.C4H10O.ClH/c1-2-3-4-10-6(9)11-5(7)8;1-2-3-4-5;/h2-4H2,1H3,(H6,7,8,9,10,11);5H,2-4H2,1H3;1H.
What are the key properties of butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride?
butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 0.78, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;2-butyl-1-carbamimidoylguanidine;hydrochloride is sourced from PubChem (CID 176533535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).