1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine

C12H21N3 — CID 122096891

IUPAC1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine
SMILESN/C(=N\CC1=CCCCC1)NC1CCC1
InChIInChI=1S/C12H21N3/c13-12(15-11-7-4-8-11)14-9-10-5-2-1-3-6-10/h5,11H,1-4,6-9H2,(H3,13,14,15)
InChIKeyUCXWLMLNFZEMNT-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.94
Rot. Bonds3

About 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine

1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine (PubChem CID 122096891) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine
PubChem CID122096891
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine
SMILESN/C(=N\CC1=CCCCC1)NC1CCC1
InChIInChI=1S/C12H21N3/c13-12(15-11-7-4-8-11)14-9-10-5-2-1-3-6-10/h5,11H,1-4,6-9H2,(H3,13,14,15)
InChIKeyUCXWLMLNFZEMNT-UHFFFAOYSA-N
XLogP1.94
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.94
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

2-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylguanidine
CID 51130757
1-cyclobutyl-2-[2-(cyclohexen-1-yl)-2-methylpropyl]guanidine
CID 122095418
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
1-cyclobutyl-2-[(4-iodo-3-methylphenyl)methyl]guanidine
CID 122095889
2-[(4-bromo-2,6-difluorophenyl)methyl]-1-cyclobutylguanidine
CID 122095501
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
1-cyclohexyl-2-ethylguanidine
CID 18727697
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
2-(cyclohexen-1-ylmethyl)-1-(2,5-dimethoxyphenyl)guanidine
CID 122096895

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine?
The IUPAC name of 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine (CID 122096891) is 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine?
The canonical SMILES for 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine is N/C(=N\CC1=CCCCC1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine?
The InChIKey is UCXWLMLNFZEMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-12(15-11-7-4-8-11)14-9-10-5-2-1-3-6-10/h5,11H,1-4,6-9H2,(H3,13,14,15).
What are the key properties of 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine?
1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine has a molecular weight of 207.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(cyclohexen-1-ylmethyl)guanidine is sourced from PubChem (CID 122096891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).