N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline

C16H19N3 — CID 43673439

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline
SMILESC1=CCC(CNc2ccccc2-n2ccnc2)CC1
InChIInChI=1S/C16H19N3/c1-2-6-14(7-3-1)12-18-15-8-4-5-9-16(15)19-11-10-17-13-19/h1-2,4-5,8-11,13-14,18H,3,6-7,12H2
InChIKeyWADOPRKTERMIRX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.64
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline

N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline (PubChem CID 43673439) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline
PubChem CID43673439
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline
SMILESC1=CCC(CNc2ccccc2-n2ccnc2)CC1
InChIInChI=1S/C16H19N3/c1-2-6-14(7-3-1)12-18-15-8-4-5-9-16(15)19-11-10-17-13-19/h1-2,4-5,8-11,13-14,18H,3,6-7,12H2
InChIKeyWADOPRKTERMIRX-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
CID 43683283
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60943626
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline
CID 43677789
N-(2-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-amine
CID 62975773
2-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 62763592
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
3-[(2-imidazol-1-ylanilino)methyl]benzene-1,2-diol
CID 61320323
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
N-(2-imidazol-1-ylphenyl)-1-propylpiperidin-4-amine
CID 43673485

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline (CID 43673439) is N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline is C1=CCC(CNc2ccccc2-n2ccnc2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline?
The InChIKey is WADOPRKTERMIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-6-14(7-3-1)12-18-15-8-4-5-9-16(15)19-11-10-17-13-19/h1-2,4-5,8-11,13-14,18H,3,6-7,12H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline?
N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline has a molecular weight of 253.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-imidazol-1-ylaniline is sourced from PubChem (CID 43673439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).