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

C14H32N4 — CID 111178078

IUPAC1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCC(C)N(CC)CC
InChIInChI=1S/C14H32N4/c1-7-15-14(16-10-12(4)5)17-11-13(6)18(8-2)9-3/h12-13H,7-11H2,1-6H3,(H2,15,16,17)
InChIKeyAAJLJNAUIUYKDI-UHFFFAOYSA-N
MW256.44 g/mol
LogP1.93
Rot. Bonds8

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

1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine (PubChem CID 111178078) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine
PubChem CID111178078
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCC(C)N(CC)CC
InChIInChI=1S/C14H32N4/c1-7-15-14(16-10-12(4)5)17-11-13(6)18(8-2)9-3/h12-13H,7-11H2,1-6H3,(H2,15,16,17)
InChIKeyAAJLJNAUIUYKDI-UHFFFAOYSA-N
XLogP1.93
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-hydroxyethyl)pentyl]guanidine
CID 111712873
1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607126
1-[2-(diethylamino)ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180876
1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine
CID 111500231
1-ethyl-3-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-methylpropyl)guanidine
CID 111714547
1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine
CID 110943508
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 111709664
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180508
1-ethyl-2-(2-methylpropyl)-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111181002
1-[2-(diethylamino)propyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109432488
1-ethyl-2-(2-methylpropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111181088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine (CID 111178078) is 1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine is CCN/C(=N\CC(C)C)NCC(C)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine?
The InChIKey is AAJLJNAUIUYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-7-15-14(16-10-12(4)5)17-11-13(6)18(8-2)9-3/h12-13H,7-11H2,1-6H3,(H2,15,16,17).
What are the key properties of 1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine?
1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine has a molecular weight of 256.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111178078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).