1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine

C9H17N3 — CID 131101961

IUPAC1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NC1CCC1
InChIInChI=1S/C9H17N3/c1-7(2)6-11-9(10)12-8-4-3-5-8/h8H,1,3-6H2,2H3,(H3,10,11,12)
InChIKeyBTGMKKYATZPBRR-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.02
Rot. Bonds3

About 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine

1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine (PubChem CID 131101961) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine
PubChem CID131101961
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NC1CCC1
InChIInChI=1S/C9H17N3/c1-7(2)6-11-9(10)12-8-4-3-5-8/h8H,1,3-6H2,2H3,(H3,10,11,12)
InChIKeyBTGMKKYATZPBRR-UHFFFAOYSA-N
XLogP1.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.02
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
N,N'-diisopentenylguanidine
CID 91369226
1-(3,3-Difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 120514535
1-(3,3-Difluorocyclobutyl)-2-(2-methylprop-2-enyl)guanidine
CID 120514536
4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butylazanium
CID 21601572
1-Cyclobutyl-2-(2-methylpropyl)guanidine
CID 62415974
1-Cyclopropyl-2-(3-methylbut-2-enyl)guanidine
CID 103517405
2-(3-Methylbut-2-enyl)-1-propan-2-ylguanidine
CID 103517453
2-(3-Methylbut-2-enyl)-1-propylguanidine
CID 103517455
1-[4-(Diethylamino)butyl]-2-(2-methylprop-2-enyl)guanidine
CID 111060027
1-[3-[Di(propan-2-yl)amino]propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111691844

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine (CID 131101961) is 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is BTGMKKYATZPBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)6-11-9(10)12-8-4-3-5-8/h8H,1,3-6H2,2H3,(H3,10,11,12).
What are the key properties of 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine?
1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 167.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 131101961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).