1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine

C19H32N4O — CID 111607521

IUPAC1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESC/N=C(/NCC(c1ccccc1)N1CCCC1)NCC(C)(C)OC
InChIInChI=1S/C19H32N4O/c1-19(2,24-4)15-22-18(20-3)21-14-17(23-12-8-9-13-23)16-10-6-5-7-11-16/h5-7,10-11,17H,8-9,12-15H2,1-4H3,(H2,20,21,22)
InChIKeyUORLLAKSPWFVTM-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.41
Rot. Bonds7

About 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine

1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine (PubChem CID 111607521) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
PubChem CID111607521
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
SMILESC/N=C(/NCC(c1ccccc1)N1CCCC1)NCC(C)(C)OC
InChIInChI=1S/C19H32N4O/c1-19(2,24-4)15-22-18(20-3)21-14-17(23-12-8-9-13-23)16-10-6-5-7-11-16/h5-7,10-11,17H,8-9,12-15H2,1-4H3,(H2,20,21,22)
InChIKeyUORLLAKSPWFVTM-UHFFFAOYSA-N
XLogP2.41
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.41
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-(2-methoxy-2-methylpropyl)-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylguanidine
CID 111605255
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111605228
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111785017
1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111606949
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111607358
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111967387
2-methyl-1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-prop-2-enylguanidine;hydroiodide
CID 110981972
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine;hydroiodide
CID 111967386
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111789468
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111607849
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326596
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326920

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine (CID 111607521) is 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine is C/N=C(/NCC(c1ccccc1)N1CCCC1)NCC(C)(C)OC.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
The InChIKey is UORLLAKSPWFVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-19(2,24-4)15-22-18(20-3)21-14-17(23-12-8-9-13-23)16-10-6-5-7-11-16/h5-7,10-11,17H,8-9,12-15H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine?
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine has a molecular weight of 332.49 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine is sourced from PubChem (CID 111607521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).