1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine

C19H38N4O — CID 109477790

IUPAC1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCC(C)N(C)C1CC1
InChIInChI=1S/C19H38N4O/c1-4-20-18(21-14-16(2)23(3)17-8-9-17)22-15-19(12-13-24)10-6-5-7-11-19/h16-17,24H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyLFHDYUKFITZDNL-UHFFFAOYSA-N
MW338.54 g/mol
LogP2.36
Rot. Bonds9

About 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine

1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine (PubChem CID 109477790) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
PubChem CID109477790
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC Name1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCC(C)N(C)C1CC1
InChIInChI=1S/C19H38N4O/c1-4-20-18(21-14-16(2)23(3)17-8-9-17)22-15-19(12-13-24)10-6-5-7-11-19/h16-17,24H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyLFHDYUKFITZDNL-UHFFFAOYSA-N
XLogP2.36
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 52.36
H-Bond Donors ≤ 53
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-(cyclopropylmethyl)-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109476862
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-propylguanidine
CID 109477756
methyl 3-[[N-ethyl-N'-[[1-(2-hydroxyethyl)cyclohexyl]methyl]carbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 109476604
1-ethyl-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477392
1-butyl-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477971
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 109478079
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 109477383
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methoxyethyl)guanidine
CID 109477564
2-cyclopentyl-N-[2-[[N-ethyl-N'-[[1-(2-hydroxyethyl)cyclohexyl]methyl]carbamimidoyl]amino]ethyl]acetamide
CID 109476581
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methylsulfonylethyl)guanidine
CID 109476563
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine
CID 109469115
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 109477303

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine (CID 109477790) is 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine is CCN/C(=N\CC1(CCO)CCCCC1)NCC(C)N(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine?
The InChIKey is LFHDYUKFITZDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-4-20-18(21-14-16(2)23(3)17-8-9-17)22-15-19(12-13-24)10-6-5-7-11-19/h16-17,24H,4-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine?
1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine has a molecular weight of 338.54 g/mol, XLogP of 2.36, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]propyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine is sourced from PubChem (CID 109477790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).