1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine

C13H23N3 — CID 119120127

IUPAC1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine
SMILESN/C(=N\CC1CC=CCC1)NCC1CCC1
InChIInChI=1S/C13H23N3/c14-13(16-10-12-7-4-8-12)15-9-11-5-2-1-3-6-11/h1-2,11-12H,3-10H2,(H3,14,15,16)
InChIKeyBFHYLSHPPYEROB-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.05
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine

1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine (PubChem CID 119120127) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine
PubChem CID119120127
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine
SMILESN/C(=N\CC1CC=CCC1)NCC1CCC1
InChIInChI=1S/C13H23N3/c14-13(16-10-12-7-4-8-12)15-9-11-5-2-1-3-6-11/h1-2,11-12H,3-10H2,(H3,14,15,16)
InChIKeyBFHYLSHPPYEROB-UHFFFAOYSA-N
XLogP2.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.05
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

6-Chloro-2-cyclohex-2-en-1-yl-4-cyclohex-3-en-1-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163776105
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
1-[2-[4-[2-[[(E)-N'-carbamimidoylcarbamimidoyl]amino]ethyl]cyclohex-2-en-1-yl]ethyl]-3-(diaminomethylidene)guanidine
CID 177268244
1-[2-(Cyclohexen-1-yl)ethyl]-2-(3,7-dimethyloct-6-enyl)guanidine
CID 10947846
1-Cyclohex-3-en-1-yl-2-(2-methylpropyl)guanidine
CID 65679564
2-(Cyclohex-3-en-1-ylmethyl)-1,1-diethylguanidine
CID 75493991
5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
CID 79509894
1-(Cyclobutylmethyl)-3-cyclopent-3-en-1-yl-2-methylguanidine
CID 99850633
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine;hydroiodide
CID 109470477
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(E)-pent-3-enyl]guanidine
CID 109470478
1-Cyclopent-3-en-1-yl-3-ethyl-2-(5-methylhexyl)guanidine
CID 109770315
1-Cyclopent-3-en-1-yl-3-(2-ethylhexyl)-2-methylguanidine
CID 109770649

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine (CID 119120127) is 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine is N/C(=N\CC1CC=CCC1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine?
The InChIKey is BFHYLSHPPYEROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c14-13(16-10-12-7-4-8-12)15-9-11-5-2-1-3-6-11/h1-2,11-12H,3-10H2,(H3,14,15,16).
What are the key properties of 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine?
1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine has a molecular weight of 221.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(cyclohex-3-en-1-ylmethyl)guanidine is sourced from PubChem (CID 119120127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).