1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine

C12H28N4O — CID 110974949

IUPAC1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESCCN(CC)CCN/C(=N/C)NCCCOC
InChIInChI=1S/C12H28N4O/c1-5-16(6-2)10-9-15-12(13-3)14-8-7-11-17-4/h5-11H2,1-4H3,(H2,13,14,15)
InChIKeyDPTZYKOXFLAEPJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.53
Rot. Bonds9

About 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine

1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine (PubChem CID 110974949) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
PubChem CID110974949
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
SMILESCCN(CC)CCN/C(=N/C)NCCCOC
InChIInChI=1S/C12H28N4O/c1-5-16(6-2)10-9-15-12(13-3)14-8-7-11-17-4/h5-11H2,1-4H3,(H2,13,14,15)
InChIKeyDPTZYKOXFLAEPJ-UHFFFAOYSA-N
XLogP0.53
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(diethylamino)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406484
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 111392715
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110974894
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652348
1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110973477
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111652347
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-pentylguanidine
CID 111652298
1-[5-(diethylamino)pentan-2-yl]-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 110998382
1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111221933
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111650910
1-[3-(diethylamino)propyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111945232
1-(3-butoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111238765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine (CID 110974949) is 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine is CCN(CC)CCN/C(=N/C)NCCCOC.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine?
The InChIKey is DPTZYKOXFLAEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-5-16(6-2)10-9-15-12(13-3)14-8-7-11-17-4/h5-11H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine?
1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine has a molecular weight of 244.38 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine is sourced from PubChem (CID 110974949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).