2-cyclobutylguanidine;hydrochloride

C5H12ClN3 — CID 164664033

IUPAC2-cyclobutylguanidine;hydrochloride
SMILESCl.NC(N)=NC1CCC1
InChIInChI=1S/C5H11N3.ClH/c6-5(7)8-4-2-1-3-4;/h4H,1-3H2,(H4,6,7,8);1H
InChIKeyRVUCFAQMHDXALD-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.23
Rot. Bonds1

About 2-cyclobutylguanidine;hydrochloride

2-cyclobutylguanidine;hydrochloride (PubChem CID 164664033) has the molecular formula C5H12ClN3 and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-cyclobutylguanidine;hydrochloride.

Molecular Properties

Compound Name2-cyclobutylguanidine;hydrochloride
PubChem CID164664033
Molecular FormulaC5H12ClN3
Molecular Weight149.62 g/mol
Exact Mass149.07
IUPAC Name2-cyclobutylguanidine;hydrochloride
SMILESCl.NC(N)=NC1CCC1
InChIInChI=1S/C5H11N3.ClH/c6-5(7)8-4-2-1-3-4;/h4H,1-3H2,(H4,6,7,8);1H
InChIKeyRVUCFAQMHDXALD-UHFFFAOYSA-N
XLogP0.23
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.23
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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Related Compounds

N''-cyclobutylguanidine
CID 20383377
2-(2-Fluorocyclobutyl)guanidine
CID 138545429
2-(3-Fluorocyclobutyl)guanidine
CID 138545433
N'-cyclobutylmethanimidamide
CID 54346963
N-Isopropylguanidine hydrochloride
CID 86585725
2-Butan-2-ylguanidine;hydrochloride
CID 86585728
(NE)-N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
CID 134515806
N'-cyclobutylmethanediimine
CID 147997587
Cyclobutyl(diaminomethylidene)azanium chloride
CID 157305461
N-[amino(bromo)methylidene]-N'-cyclobutylcarbamimidoyl bromide
CID 173758828
2-Propan-2-ylguanidine chloride
CID 19698822
2-Cyclobutyl-1-(diaminomethylidene)guanidine
CID 83036977

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylguanidine;hydrochloride?
The IUPAC name of 2-cyclobutylguanidine;hydrochloride (CID 164664033) is 2-cyclobutylguanidine;hydrochloride.
What is the SMILES notation for 2-cyclobutylguanidine;hydrochloride?
The canonical SMILES for 2-cyclobutylguanidine;hydrochloride is Cl.NC(N)=NC1CCC1.
What is the InChIKey of 2-cyclobutylguanidine;hydrochloride?
The InChIKey is RVUCFAQMHDXALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.ClH/c6-5(7)8-4-2-1-3-4;/h4H,1-3H2,(H4,6,7,8);1H.
What are the key properties of 2-cyclobutylguanidine;hydrochloride?
2-cyclobutylguanidine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylguanidine;hydrochloride is sourced from PubChem (CID 164664033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).