2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine

C19H35N5O — CID 111586361

IUPAC2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1cc(C(C)C)no1)NCC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C19H35N5O/c1-14(2)17-10-16(25-23-17)11-21-18(20-6)22-13-19(4,5)24-9-7-8-15(3)12-24/h10,14-15H,7-9,11-13H2,1-6H3,(H2,20,21,22)
InChIKeyCHFHDZBOEHYDBQ-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.97
Rot. Bonds6

About 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine

2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine (PubChem CID 111586361) has the molecular formula C19H35N5O and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
PubChem CID111586361
Molecular FormulaC19H35N5O
Molecular Weight349.52 g/mol
Exact Mass349.28
IUPAC Name2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1cc(C(C)C)no1)NCC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C19H35N5O/c1-14(2)17-10-16(25-23-17)11-21-18(20-6)22-13-19(4,5)24-9-7-8-15(3)12-24/h10,14-15H,7-9,11-13H2,1-6H3,(H2,20,21,22)
InChIKeyCHFHDZBOEHYDBQ-UHFFFAOYSA-N
XLogP2.97
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111705623
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111607295
1,2-dimethyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 86777122
2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616956
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111585704
1-[(4-tert-butylphenyl)methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111585157
2-methyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111587154
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111585830
N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111510756
1-[(4-cyclohexyloxyphenyl)methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584498
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111585873
2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine (CID 111586361) is 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine is C/N=C(\NCc1cc(C(C)C)no1)NCC(C)(C)N1CCCC(C)C1.
What is the InChIKey of 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine?
The InChIKey is CHFHDZBOEHYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O/c1-14(2)17-10-16(25-23-17)11-21-18(20-6)22-13-19(4,5)24-9-7-8-15(3)12-24/h10,14-15H,7-9,11-13H2,1-6H3,(H2,20,21,22).
What are the key properties of 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine?
2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine has a molecular weight of 349.52 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine is sourced from PubChem (CID 111586361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).