N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine

C14H28N4O — CID 106558814

IUPACN',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nccn1CCCOC
InChIInChI=1S/C14H28N4O/c1-4-17(5-2)10-6-8-15-14-16-9-12-18(14)11-7-13-19-3/h9,12H,4-8,10-11,13H2,1-3H3,(H,15,16)
InChIKeyUOBOPDRUFYBVEN-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.06
Rot. Bonds11

About N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine

N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine (PubChem CID 106558814) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
PubChem CID106558814
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nccn1CCCOC
InChIInChI=1S/C14H28N4O/c1-4-17(5-2)10-6-8-15-14-16-9-12-18(14)11-7-13-19-3/h9,12H,4-8,10-11,13H2,1-3H3,(H,15,16)
InChIKeyUOBOPDRUFYBVEN-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'}

Analyze N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106570460
1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106555590
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
N',N'-diethyl-N-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558821
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
1-[2-(diethylamino)ethyl]-N-propylimidazol-2-amine
CID 106555282
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine (CID 106558814) is N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine is CCN(CC)CCCNc1nccn1CCCOC.
What is the InChIKey of N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine?
The InChIKey is UOBOPDRUFYBVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-4-17(5-2)10-6-8-15-14-16-9-12-18(14)11-7-13-19-3/h9,12H,4-8,10-11,13H2,1-3H3,(H,15,16).
What are the key properties of N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine?
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine 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 N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine is sourced from PubChem (CID 106558814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).