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

C14H28N4O — CID 106558829

IUPAC1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCCN(CC)CCCn1ccnc1NCCCOC
InChIInChI=1S/C14H28N4O/c1-4-17(5-2)10-7-11-18-12-9-16-14(18)15-8-6-13-19-3/h9,12H,4-8,10-11,13H2,1-3H3,(H,15,16)
InChIKeyNFPHSXARVAKEDB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.06
Rot. Bonds11

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

1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106558829) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106558829
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCCN(CC)CCCn1ccnc1NCCCOC
InChIInChI=1S/C14H28N4O/c1-4-17(5-2)10-7-11-18-12-9-16-14(18)15-8-6-13-19-3/h9,12H,4-8,10-11,13H2,1-3H3,(H,15,16)
InChIKeyNFPHSXARVAKEDB-UHFFFAOYSA-N
XLogP2.06
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine (CID 106558829) is 1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine is CCN(CC)CCCn1ccnc1NCCCOC.
What is the InChIKey of 1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is NFPHSXARVAKEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-4-17(5-2)10-7-11-18-12-9-16-14(18)15-8-6-13-19-3/h9,12H,4-8,10-11,13H2,1-3H3,(H,15,16).
What are the key properties of 1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine?
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.06, 11 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-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106558829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).