3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine

C14H24N4O — CID 116515417

IUPAC3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine
SMILESCOCC(C)/N=C(\NN)N(C)CCc1ccccc1
InChIInChI=1S/C14H24N4O/c1-12(11-19-3)16-14(17-15)18(2)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11,15H2,1-3H3,(H,16,17)
InChIKeyUMZCAZMCUPWLEI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.02
Rot. Bonds6

About 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine

3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine (PubChem CID 116515417) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine
PubChem CID116515417
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine
SMILESCOCC(C)/N=C(\NN)N(C)CCc1ccccc1
InChIInChI=1S/C14H24N4O/c1-12(11-19-3)16-14(17-15)18(2)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11,15H2,1-3H3,(H,16,17)
InChIKeyUMZCAZMCUPWLEI-UHFFFAOYSA-N
XLogP1.02
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
2-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
3-amino-1-benzyl-2-(3-methoxypropyl)-1-methylguanidine
CID 116512961
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
CID 107031339
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104883492
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
2-[1-aminoethyl(2-phenylethyl)amino]ethanol
CID 174769140
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104884792
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine?
The IUPAC name of 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine (CID 116515417) is 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine?
The canonical SMILES for 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine is COCC(C)/N=C(\NN)N(C)CCc1ccccc1.
What is the InChIKey of 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine?
The InChIKey is UMZCAZMCUPWLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(11-19-3)16-14(17-15)18(2)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine?
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine has a molecular weight of 264.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 116515417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).