2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

C16H34N4O — CID 111190048

IUPAC2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(C)N(CC)CC)NC1CCC(O)CC1
InChIInChI=1S/C16H34N4O/c1-5-17-16(18-12-13(4)20(6-2)7-3)19-14-8-10-15(21)11-9-14/h13-15,21H,5-12H2,1-4H3,(H2,17,18,19)
InChIKeyANHORPNNFRZQPJ-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.58
Rot. Bonds7

About 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111190048) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111190048
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(C)N(CC)CC)NC1CCC(O)CC1
InChIInChI=1S/C16H34N4O/c1-5-17-16(18-12-13(4)20(6-2)7-3)19-14-8-10-15(21)11-9-14/h13-15,21H,5-12H2,1-4H3,(H2,17,18,19)
InChIKeyANHORPNNFRZQPJ-UHFFFAOYSA-N
XLogP1.58
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.58
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-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111979471
1-ethyl-3-(4-hydroxycyclohexyl)-2-(3-methylbutyl)guanidine
CID 111190548
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189178
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979312
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111190435
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-propylhexyl)guanidine;hydroiodide
CID 111979226
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111189500
2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189717
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111979338
1-ethyl-2-hexyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190892
1-ethyl-2-(2-ethylsulfonylethyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111190416
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 111190166

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (CID 111190048) is 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CC(C)N(CC)CC)NC1CCC(O)CC1.
What is the InChIKey of 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is ANHORPNNFRZQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-5-17-16(18-12-13(4)20(6-2)7-3)19-14-8-10-15(21)11-9-14/h13-15,21H,5-12H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 298.47 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111190048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).