1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine

C17H34N4O — CID 119151371

IUPAC1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine
SMILESC/N=C(\NCC1CCC1)NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C17H34N4O/c1-13-10-21(11-14(2)22-13)17(3,4)12-20-16(18-5)19-9-15-7-6-8-15/h13-15H,6-12H2,1-5H3,(H2,18,19,20)
InChIKeyNHWXTHVOSCAARW-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.84
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine

1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine (PubChem CID 119151371) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine
PubChem CID119151371
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine
SMILESC/N=C(\NCC1CCC1)NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C17H34N4O/c1-13-10-21(11-14(2)22-13)17(3,4)12-20-16(18-5)19-9-15-7-6-8-15/h13-15H,6-12H2,1-5H3,(H2,18,19,20)
InChIKeyNHWXTHVOSCAARW-UHFFFAOYSA-N
XLogP1.84
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexyl-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 110959104
1-(cyclopropylmethyl)-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320148
1-(cyclopropylmethyl)-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111320147
2-methyl-1-[(4-methylcyclohexyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111313640
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111181324
2-(cyclopropylmethylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]acetamide
CID 119839560
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006492
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232344
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111957231
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111348815
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111607295
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949991

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine?
The IUPAC name of 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine (CID 119151371) is 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine is C/N=C(\NCC1CCC1)NCC(C)(C)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine?
The InChIKey is NHWXTHVOSCAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-13-10-21(11-14(2)22-13)17(3,4)12-20-16(18-5)19-9-15-7-6-8-15/h13-15H,6-12H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine?
1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine has a molecular weight of 310.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylguanidine is sourced from PubChem (CID 119151371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).