N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine

C14H28N4 — CID 62562672

IUPACN',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCn1ccnc1C(C)C
InChIInChI=1S/C14H28N4/c1-5-17(6-2)10-7-15-8-11-18-12-9-16-14(18)13(3)4/h9,12-13,15H,5-8,10-11H2,1-4H3
InChIKeyOZGKLOYMEFSVQD-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.94
Rot. Bonds9

About N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 62562672) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine
PubChem CID62562672
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCn1ccnc1C(C)C
InChIInChI=1S/C14H28N4/c1-5-17(6-2)10-7-15-8-11-18-12-9-16-14(18)13(3)4/h9,12-13,15H,5-8,10-11H2,1-4H3
InChIKeyOZGKLOYMEFSVQD-UHFFFAOYSA-N
XLogP1.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-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-butyl-2-propan-2-ylimidazole
CID 11506521
N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 62562843
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
5-bromo-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pentanamide
CID 165459039
N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
N',N'-diethyl-1-(1-ethylimidazol-2-yl)-N-methylpropane-1,3-diamine
CID 79087528
3,6-dimethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazin-2-amine
CID 154771003
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine
CID 62563536
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine (CID 62562672) is N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine is CCN(CC)CCNCCn1ccnc1C(C)C.
What is the InChIKey of N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is OZGKLOYMEFSVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-17(6-2)10-7-15-8-11-18-12-9-16-14(18)13(3)4/h9,12-13,15H,5-8,10-11H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62562672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).