N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine

C17H26N4 — CID 103720781

IUPACN'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H26N4/c1-3-11-20(4-2)12-9-18-14-16-5-7-17(8-6-16)21-13-10-19-15-21/h5-8,10,13,15,18H,3-4,9,11-12,14H2,1-2H3
InChIKeyKFWIDHVNUFEBPV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.69
Rot. Bonds9

About N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine

N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine (PubChem CID 103720781) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
PubChem CID103720781
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H26N4/c1-3-11-20(4-2)12-9-18-14-16-5-7-17(8-6-16)21-13-10-19-15-21/h5-8,10,13,15,18H,3-4,9,11-12,14H2,1-2H3
InChIKeyKFWIDHVNUFEBPV-UHFFFAOYSA-N
XLogP2.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine (CID 103720781) is N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine is CCCN(CC)CCNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine?
The InChIKey is KFWIDHVNUFEBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-11-20(4-2)12-9-18-14-16-5-7-17(8-6-16)21-13-10-19-15-21/h5-8,10,13,15,18H,3-4,9,11-12,14H2,1-2H3.
What are the key properties of N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine?
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine has a molecular weight of 286.42 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103720781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).