N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline

C14H19N3 — CID 54960830

IUPACN-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCCCn2ccnc2)c1
InChIInChI=1S/C14H19N3/c1-12-4-5-13(2)14(10-12)16-6-3-8-17-9-7-15-11-17/h4-5,7,9-11,16H,3,6,8H2,1-2H3
InChIKeyYHUFJEBYGOFZFL-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.00
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline

N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline (PubChem CID 54960830) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
PubChem CID54960830
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCCCn2ccnc2)c1
InChIInChI=1S/C14H19N3/c1-12-4-5-13(2)14(10-12)16-6-3-8-17-9-7-15-11-17/h4-5,7,9-11,16H,3,6,8H2,1-2H3
InChIKeyYHUFJEBYGOFZFL-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66481735
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378188
N-(3-imidazol-1-ylpropyl)-5-methylpyridazin-3-amine
CID 106549494
8-(3-imidazol-1-ylpropylamino)-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 71002969
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
CID 61313104
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline (CID 54960830) is N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline is Cc1ccc(C)c(NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline?
The InChIKey is YHUFJEBYGOFZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12-4-5-13(2)14(10-12)16-6-3-8-17-9-7-15-11-17/h4-5,7,9-11,16H,3,6,8H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline?
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline has a molecular weight of 229.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline is sourced from PubChem (CID 54960830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).