1-cyclobutyl-3-cyclopropyl-2-methylguanidine

C9H17N3 — CID 130625734

IUPAC1-cyclobutyl-3-cyclopropyl-2-methylguanidine
SMILESC/N=C(/NC1CCC1)NC1CC1
InChIInChI=1S/C9H17N3/c1-10-9(12-8-5-6-8)11-7-3-2-4-7/h7-8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyJWBLRBWKSWKZNZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.87
Rot. Bonds2

About 1-cyclobutyl-3-cyclopropyl-2-methylguanidine

1-cyclobutyl-3-cyclopropyl-2-methylguanidine (PubChem CID 130625734) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-cyclobutyl-3-cyclopropyl-2-methylguanidine.

Molecular Properties

Compound Name1-cyclobutyl-3-cyclopropyl-2-methylguanidine
PubChem CID130625734
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-cyclobutyl-3-cyclopropyl-2-methylguanidine
SMILESC/N=C(/NC1CCC1)NC1CC1
InChIInChI=1S/C9H17N3/c1-10-9(12-8-5-6-8)11-7-3-2-4-7/h7-8H,2-6H2,1H3,(H2,10,11,12)
InChIKeyJWBLRBWKSWKZNZ-UHFFFAOYSA-N
XLogP0.87
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.87
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

1,3-dicyclohexyl-2-methylguanidine;hydrochloride
CID 14771735
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-cyclobutyl-2-methylguanidine
CID 119154322
1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
CID 119154163
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
1-cyclobutyl-2-methyl-3-(3-methylsulfanylcyclohexyl)guanidine
CID 119154206
1-cyclobutyl-2-methyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 119153768
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119153886
1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 67070956
1-cyclobutyl-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 119153825
1-cyclobutyl-2-methyl-3-(6-oxopiperidin-3-yl)guanidine
CID 119153908
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
1-(cyclohexylmethyl)-3-cyclopropyl-2-methylguanidine
CID 95760513

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-cyclopropyl-2-methylguanidine?
The IUPAC name of 1-cyclobutyl-3-cyclopropyl-2-methylguanidine (CID 130625734) is 1-cyclobutyl-3-cyclopropyl-2-methylguanidine.
What is the SMILES notation for 1-cyclobutyl-3-cyclopropyl-2-methylguanidine?
The canonical SMILES for 1-cyclobutyl-3-cyclopropyl-2-methylguanidine is C/N=C(/NC1CCC1)NC1CC1.
What is the InChIKey of 1-cyclobutyl-3-cyclopropyl-2-methylguanidine?
The InChIKey is JWBLRBWKSWKZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-10-9(12-8-5-6-8)11-7-3-2-4-7/h7-8H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclobutyl-3-cyclopropyl-2-methylguanidine?
1-cyclobutyl-3-cyclopropyl-2-methylguanidine has a molecular weight of 167.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-cyclopropyl-2-methylguanidine is sourced from PubChem (CID 130625734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).