1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine

C17H38N4O — CID 111712873

IUPAC1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
SMILESCCCC(CCO)C/N=C(\NCC)NCC(C)N(CC)CC
InChIInChI=1S/C17H38N4O/c1-6-10-16(11-12-22)14-20-17(18-7-2)19-13-15(5)21(8-3)9-4/h15-16,22H,6-14H2,1-5H3,(H2,18,19,20)
InChIKeyZMWKMSLSSFISOE-UHFFFAOYSA-N
MW314.52 g/mol
LogP2.07
Rot. Bonds12

About 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine

1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine (PubChem CID 111712873) has the molecular formula C17H38N4O and a molecular weight of 314.52 g/mol. Its IUPAC name is 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
PubChem CID111712873
Molecular FormulaC17H38N4O
Molecular Weight314.52 g/mol
Exact Mass314.30
IUPAC Name1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
SMILESCCCC(CCO)C/N=C(\NCC)NCC(C)N(CC)CC
InChIInChI=1S/C17H38N4O/c1-6-10-16(11-12-22)14-20-17(18-7-2)19-13-15(5)21(8-3)9-4/h15-16,22H,6-14H2,1-5H3,(H2,18,19,20)
InChIKeyZMWKMSLSSFISOE-UHFFFAOYSA-N
XLogP2.07
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 52.07
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-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111178078
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-prop-2-enylguanidine
CID 111548591
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(5-methylhexan-2-yl)guanidine
CID 111789858
N-[2-[[N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]carbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111712788
1,3-diethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine
CID 111498077
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(3-propan-2-yloxypropyl)guanidine
CID 111712426
1-ethyl-3-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-methylpropyl)guanidine
CID 111714547
3-[[N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]carbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111711938
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111712226
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[2-(methanesulfonamido)ethyl]guanidine
CID 111712737
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111712810
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(3-methylsulfonylpropyl)guanidine
CID 111713151

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine?
The IUPAC name of 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine (CID 111712873) is 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine.
What is the SMILES notation for 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine?
The canonical SMILES for 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine is CCCC(CCO)C/N=C(\NCC)NCC(C)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine?
The InChIKey is ZMWKMSLSSFISOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4O/c1-6-10-16(11-12-22)14-20-17(18-7-2)19-13-15(5)21(8-3)9-4/h15-16,22H,6-14H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine?
1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine has a molecular weight of 314.52 g/mol, XLogP of 2.07, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)propyl]-3-ethyl-2-[2-(2-hydroxyethyl)pentyl]guanidine is sourced from PubChem (CID 111712873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).