1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine

C15H32N4O — CID 111237337

IUPAC1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESC/N=C(/NCC(C)N1CCC(C)CC1)NC(C)COC
InChIInChI=1S/C15H32N4O/c1-12-6-8-19(9-7-12)14(3)10-17-15(16-4)18-13(2)11-20-5/h12-14H,6-11H2,1-5H3,(H2,16,17,18)
InChIKeyMBTLXCDPCMIDME-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.31
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine

1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 111237337) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
PubChem CID111237337
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
SMILESC/N=C(/NCC(C)N1CCC(C)CC1)NC(C)COC
InChIInChI=1S/C15H32N4O/c1-12-6-8-19(9-7-12)14(3)10-17-15(16-4)18-13(2)11-20-5/h12-14H,6-11H2,1-5H3,(H2,16,17,18)
InChIKeyMBTLXCDPCMIDME-UHFFFAOYSA-N
XLogP1.31
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.31
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

2-methyl-1-[2-(4-methylpiperidin-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125066
1-[2-(4-ethylpiperazin-1-yl)propyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111236032
1-(1-methoxypropan-2-yl)-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111237540
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111237365
1-(3-ethoxypropyl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111224551
2-methyl-1-[2-(4-methylpiperidin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980610
2-methyl-1-[2-(4-methylpiperidin-1-yl)propyl]-3-pentylguanidine;hydroiodide
CID 111129072
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111610634
tert-butyl N-[2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]carbamate
CID 111883887
N'-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934216
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111251246
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111836738

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine (CID 111237337) is 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine is C/N=C(/NCC(C)N1CCC(C)CC1)NC(C)COC.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is MBTLXCDPCMIDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-12-6-8-19(9-7-12)14(3)10-17-15(16-4)18-13(2)11-20-5/h12-14H,6-11H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine?
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 284.45 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 111237337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).