1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine

C19H38N6O — CID 111656164

IUPAC1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1cnn(C)c1)NCC(C(CC)CC)N(C)C
InChIInChI=1S/C19H38N6O/c1-8-15(9-2)17(24(5)6)12-21-18(20-10-3)22-14-19(4,26)16-11-23-25(7)13-16/h11,13,15,17,26H,8-10,12,14H2,1-7H3,(H2,20,21,22)
InChIKeyNRWVECJUIIIDJO-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.55
Rot. Bonds10

About 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine

1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine (PubChem CID 111656164) has the molecular formula C19H38N6O and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
PubChem CID111656164
Molecular FormulaC19H38N6O
Molecular Weight366.55 g/mol
Exact Mass366.31
IUPAC Name1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1cnn(C)c1)NCC(C(CC)CC)N(C)C
InChIInChI=1S/C19H38N6O/c1-8-15(9-2)17(24(5)6)12-21-18(20-10-3)22-14-19(4,26)16-11-23-25(7)13-16/h11,13,15,17,26H,8-10,12,14H2,1-7H3,(H2,20,21,22)
InChIKeyNRWVECJUIIIDJO-UHFFFAOYSA-N
XLogP1.55
TPSA77.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-(dimethylamino)ethyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111655935
1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111656448
1-[2-(dimethylamino)-3-phenylpropyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656710
1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111656368
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111656533
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111655618
1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,3,3-tetramethylcyclopropyl)guanidine
CID 119163309
tert-butyl N-[2-[[N-ethyl-N'-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamimidoyl]amino]ethyl]-N-methylcarbamate;hydroiodide
CID 111656011
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111657097
1-(3-butoxypropyl)-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111655787
1-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111656454
1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109420357

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine?
The IUPAC name of 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine (CID 111656164) is 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine?
The canonical SMILES for 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine is CCN/C(=N\CC(C)(O)c1cnn(C)c1)NCC(C(CC)CC)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine?
The InChIKey is NRWVECJUIIIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N6O/c1-8-15(9-2)17(24(5)6)12-21-18(20-10-3)22-14-19(4,26)16-11-23-25(7)13-16/h11,13,15,17,26H,8-10,12,14H2,1-7H3,(H2,20,21,22).
What are the key properties of 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine?
1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine has a molecular weight of 366.55 g/mol, XLogP of 1.55, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-ethylpentyl]-3-ethyl-2-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine is sourced from PubChem (CID 111656164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).