1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine

C19H32N4O — CID 111389615

IUPAC1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1cc(C)ccc1OC)NCC(C)N(C)C1CC1
InChIInChI=1S/C19H32N4O/c1-14-6-9-18(24-5)16(12-14)10-11-21-19(20-3)22-13-15(2)23(4)17-7-8-17/h6,9,12,15,17H,7-8,10-11,13H2,1-5H3,(H2,20,21,22)
InChIKeyKGYNROJAKOEZHY-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.19
Rot. Bonds8

About 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine

1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine (PubChem CID 111389615) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
PubChem CID111389615
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(/NCCc1cc(C)ccc1OC)NCC(C)N(C)C1CC1
InChIInChI=1S/C19H32N4O/c1-14-6-9-18(24-5)16(12-14)10-11-21-19(20-3)22-13-15(2)23(4)17-7-8-17/h6,9,12,15,17H,7-8,10-11,13H2,1-5H3,(H2,20,21,22)
InChIKeyKGYNROJAKOEZHY-UHFFFAOYSA-N
XLogP2.19
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.19
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-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111389032
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125264
1-(3-cyclopropylpropyl)-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
CID 111797456
1-[2-(diethylamino)ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111389438
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111839679
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111389356
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778874
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134986
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137981
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111389002
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111368350
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
CID 111786735

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine (CID 111389615) is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine is C/N=C(/NCCc1cc(C)ccc1OC)NCC(C)N(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine?
The InChIKey is KGYNROJAKOEZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14-6-9-18(24-5)16(12-14)10-11-21-19(20-3)22-13-15(2)23(4)17-7-8-17/h6,9,12,15,17H,7-8,10-11,13H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine?
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine has a molecular weight of 332.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111389615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).