1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine

C14H28N4 — CID 66164186

IUPAC1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1cncn1C(C)C
InChIInChI=1S/C14H28N4/c1-5-7-17(8-6-2)13(9-15)14-10-16-11-18(14)12(3)4/h10-13H,5-9,15H2,1-4H3
InChIKeyMBQSWJXZUNSAOD-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.59
Rot. Bonds8

About 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine

1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine (PubChem CID 66164186) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
PubChem CID66164186
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
SMILESCCCN(CCC)C(CN)c1cncn1C(C)C
InChIInChI=1S/C14H28N4/c1-5-7-17(8-6-2)13(9-15)14-10-16-11-18(14)12(3)4/h10-13H,5-9,15H2,1-4H3
InChIKeyMBQSWJXZUNSAOD-UHFFFAOYSA-N
XLogP2.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-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

N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163795
N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82948271
N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 79026972
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
N-(cyclopropylmethyl)-N-propyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129407
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163608
N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 82965069
N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66116888
N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82734575
2-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethoxy]ethanol
CID 103376876
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66162804
5-butan-2-yl-1-(2-methylpentan-3-yl)imidazole
CID 142042012

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine?
The IUPAC name of 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine (CID 66164186) is 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine.
What is the SMILES notation for 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine?
The canonical SMILES for 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine is CCCN(CCC)C(CN)c1cncn1C(C)C.
What is the InChIKey of 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine?
The InChIKey is MBQSWJXZUNSAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-7-17(8-6-2)13(9-15)14-10-16-11-18(14)12(3)4/h10-13H,5-9,15H2,1-4H3.
What are the key properties of 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine?
1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine is sourced from PubChem (CID 66164186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).