1,1-dibutylguanidine;hydrochloride

C9H22ClN3 — CID 21406383

IUPAC1,1-dibutylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(CCCC)CCCC
InChIInChI=1S/C9H21N3.ClH/c1-3-5-7-12(9(10)11)8-6-4-2;/h3-8H2,1-2H3,(H3,10,11);1H
InChIKeyGLVMQMGGZNRUOY-UHFFFAOYSA-N
MW207.75 g/mol
LogP2.20
Rot. Bonds6

About 1,1-dibutylguanidine;hydrochloride

1,1-dibutylguanidine;hydrochloride (PubChem CID 21406383) has the molecular formula C9H22ClN3 and a molecular weight of 207.75 g/mol. Its IUPAC name is 1,1-dibutylguanidine;hydrochloride.

Molecular Properties

Compound Name1,1-dibutylguanidine;hydrochloride
PubChem CID21406383
Molecular FormulaC9H22ClN3
Molecular Weight207.75 g/mol
Exact Mass207.15
IUPAC Name1,1-dibutylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(CCCC)CCCC
InChIInChI=1S/C9H21N3.ClH/c1-3-5-7-12(9(10)11)8-6-4-2;/h3-8H2,1-2H3,(H3,10,11);1H
InChIKeyGLVMQMGGZNRUOY-UHFFFAOYSA-N
XLogP2.20
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutylguanidine;hydrochloride?
The IUPAC name of 1,1-dibutylguanidine;hydrochloride (CID 21406383) is 1,1-dibutylguanidine;hydrochloride.
What is the SMILES notation for 1,1-dibutylguanidine;hydrochloride?
The canonical SMILES for 1,1-dibutylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(CCCC)CCCC.
What is the InChIKey of 1,1-dibutylguanidine;hydrochloride?
The InChIKey is GLVMQMGGZNRUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.ClH/c1-3-5-7-12(9(10)11)8-6-4-2;/h3-8H2,1-2H3,(H3,10,11);1H.
What are the key properties of 1,1-dibutylguanidine;hydrochloride?
1,1-dibutylguanidine;hydrochloride has a molecular weight of 207.75 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutylguanidine;hydrochloride is sourced from PubChem (CID 21406383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).