N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine

C15H22N4 — CID 107444874

IUPACN'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1ccccc1-n1ccnc1
InChIInChI=1S/C15H22N4/c1-15(2,3)18-9-8-17-13-6-4-5-7-14(13)19-11-10-16-12-19/h4-7,10-12,17-18H,8-9H2,1-3H3
InChIKeyINRWUGQUSVMVNJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.67
Rot. Bonds5

About N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine

N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine (PubChem CID 107444874) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
PubChem CID107444874
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1ccccc1-n1ccnc1
InChIInChI=1S/C15H22N4/c1-15(2,3)18-9-8-17-13-6-4-5-7-14(13)19-11-10-16-12-19/h4-7,10-12,17-18H,8-9H2,1-3H3
InChIKeyINRWUGQUSVMVNJ-UHFFFAOYSA-N
XLogP2.67
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
2-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]aniline
CID 43673464
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071720
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-imidazol-1-ylaniline
CID 43673562
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
2-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534236

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine (CID 107444874) is N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine is CC(C)(C)NCCNc1ccccc1-n1ccnc1.
What is the InChIKey of N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine?
The InChIKey is INRWUGQUSVMVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2,3)18-9-8-17-13-6-4-5-7-14(13)19-11-10-16-12-19/h4-7,10-12,17-18H,8-9H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine?
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107444874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).