1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine

C15H30N4O — CID 106558812

IUPAC1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1CCCN(CC)CC
InChIInChI=1S/C15H30N4O/c1-4-18(5-2)11-8-12-19-13-10-17-15(19)16-9-7-14-20-6-3/h10,13H,4-9,11-12,14H2,1-3H3,(H,16,17)
InChIKeyCZTUEHXJVXEASM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.45
Rot. Bonds12

About 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine

1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106558812) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106558812
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1CCCN(CC)CC
InChIInChI=1S/C15H30N4O/c1-4-18(5-2)11-8-12-19-13-10-17-15(19)16-9-7-14-20-6-3/h10,13H,4-9,11-12,14H2,1-3H3,(H,16,17)
InChIKeyCZTUEHXJVXEASM-UHFFFAOYSA-N
XLogP2.45
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578245
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
CID 106561310
1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577176
1-[2-(diethylamino)ethyl]-N-propylimidazol-2-amine
CID 106555282
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine (CID 106558812) is 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine is CCOCCCNc1nccn1CCCN(CC)CC.
What is the InChIKey of 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is CZTUEHXJVXEASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-4-18(5-2)11-8-12-19-13-10-17-15(19)16-9-7-14-20-6-3/h10,13H,4-9,11-12,14H2,1-3H3,(H,16,17).
What are the key properties of 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine?
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 282.43 g/mol, XLogP of 2.45, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106558812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).