3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine

C19H32N4O — CID 111275661

IUPAC3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine
SMILESCCOc1ccc(CN(C)/C(=N/C)NCC(C)N(C)C2CC2)cc1
InChIInChI=1S/C19H32N4O/c1-6-24-18-11-7-16(8-12-18)14-22(4)19(20-3)21-13-15(2)23(5)17-9-10-17/h7-8,11-12,15,17H,6,9-10,13-14H2,1-5H3,(H,20,21)
InChIKeyYQVDXKBWZVCWPN-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.58
Rot. Bonds8

About 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine

3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine (PubChem CID 111275661) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine
PubChem CID111275661
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine
SMILESCCOc1ccc(CN(C)/C(=N/C)NCC(C)N(C)C2CC2)cc1
InChIInChI=1S/C19H32N4O/c1-6-24-18-11-7-16(8-12-18)14-22(4)19(20-3)21-13-15(2)23(5)17-9-10-17/h7-8,11-12,15,17H,6,9-10,13-14H2,1-5H3,(H,20,21)
InChIKeyYQVDXKBWZVCWPN-UHFFFAOYSA-N
XLogP2.58
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
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-[(4-ethoxyphenyl)methyl]-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine
CID 111275099
N-[2-[[N-[(4-ethoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111275004
3-(2-butoxyethyl)-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111275065
3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111271457
1-[(4-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111272716
1-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111274930
2-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
CID 111272960
1-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111275088
1-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111275173
1-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111274781
1-[(4-ethoxyphenyl)methyl]-3-[4-(4-ethylpiperazin-1-yl)butyl]-1,2-dimethylguanidine
CID 111275109
1-[(4-ethoxyphenyl)methyl]-1,2-dimethyl-3-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 111275200

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine (CID 111275661) is 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine is CCOc1ccc(CN(C)/C(=N/C)NCC(C)N(C)C2CC2)cc1.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine?
The InChIKey is YQVDXKBWZVCWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-6-24-18-11-7-16(8-12-18)14-22(4)19(20-3)21-13-15(2)23(5)17-9-10-17/h7-8,11-12,15,17H,6,9-10,13-14H2,1-5H3,(H,20,21).
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine?
3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine has a molecular weight of 332.49 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]propyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine is sourced from PubChem (CID 111275661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).