1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine

C13H25N3O — CID 119151375

IUPAC1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
SMILESC/N=C(\NCC1CCC1)NCC1CCCCO1
InChIInChI=1S/C13H25N3O/c1-14-13(15-9-11-5-4-6-11)16-10-12-7-2-3-8-17-12/h11-12H,2-10H2,1H3,(H2,14,15,16)
InChIKeyUQWRNPFRNABAAR-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.52
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine

1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine (PubChem CID 119151375) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
PubChem CID119151375
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
SMILESC/N=C(\NCC1CCC1)NCC1CCCCO1
InChIInChI=1S/C13H25N3O/c1-14-13(15-9-11-5-4-6-11)16-10-12-7-2-3-8-17-12/h11-12H,2-10H2,1H3,(H2,14,15,16)
InChIKeyUQWRNPFRNABAAR-UHFFFAOYSA-N
XLogP1.52
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-methyl-1-(oxan-2-ylmethyl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 119140558
1-(cyclopropylmethyl)-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111867307
1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119146298
1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
2-methyl-1-(oxolan-2-ylmethyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111138282
1-(2,2-dicyclopropylethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111500027
1-cyano-2-methyl-3-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 7171863
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111610740
1-(furan-3-ylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
CID 119151203
1-[(4-cyclohexyloxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137367
2-methyl-1-(2-methylsulfonylethyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111136665
2-methyl-1-(oxolan-2-ylmethyl)-3-pent-3-enylguanidine
CID 111587833

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine (CID 119151375) is 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine is C/N=C(\NCC1CCC1)NCC1CCCCO1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine?
The InChIKey is UQWRNPFRNABAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-13(15-9-11-5-4-6-11)16-10-12-7-2-3-8-17-12/h11-12H,2-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine?
1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine has a molecular weight of 239.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine is sourced from PubChem (CID 119151375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).