N-hex-5-en-2-yl-4-methylaniline

C13H19N — CID 75525041

IUPACN-hex-5-en-2-yl-4-methylaniline
SMILESC=CCCC(C)Nc1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-4-5-6-12(3)14-13-9-7-11(2)8-10-13/h4,7-10,12,14H,1,5-6H2,2-3H3
InChIKeyBUAOYNVSZDMXDY-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.76
Rot. Bonds5

About N-hex-5-en-2-yl-4-methylaniline

N-hex-5-en-2-yl-4-methylaniline (PubChem CID 75525041) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-hex-5-en-2-yl-4-methylaniline.

Molecular Properties

Compound NameN-hex-5-en-2-yl-4-methylaniline
PubChem CID75525041
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-hex-5-en-2-yl-4-methylaniline
SMILESC=CCCC(C)Nc1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-4-5-6-12(3)14-13-9-7-11(2)8-10-13/h4,7-10,12,14H,1,5-6H2,2-3H3
InChIKeyBUAOYNVSZDMXDY-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
N-hex-5-en-2-yl-3-methyl-4-nitroaniline
CID 104655675
N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline
CID 113437865
propan-2-yl 4-(hex-5-en-2-ylamino)benzoate
CID 104655452
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724
5-(hex-5-en-2-ylamino)-1-methylpyridin-2-one
CID 104655651
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
3,4,5-trifluoro-N-hex-5-en-2-ylaniline
CID 104655698
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-4-methylaniline?
The IUPAC name of N-hex-5-en-2-yl-4-methylaniline (CID 75525041) is N-hex-5-en-2-yl-4-methylaniline.
What is the SMILES notation for N-hex-5-en-2-yl-4-methylaniline?
The canonical SMILES for N-hex-5-en-2-yl-4-methylaniline is C=CCCC(C)Nc1ccc(C)cc1.
What is the InChIKey of N-hex-5-en-2-yl-4-methylaniline?
The InChIKey is BUAOYNVSZDMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-5-6-12(3)14-13-9-7-11(2)8-10-13/h4,7-10,12,14H,1,5-6H2,2-3H3.
What are the key properties of N-hex-5-en-2-yl-4-methylaniline?
N-hex-5-en-2-yl-4-methylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-4-methylaniline is sourced from PubChem (CID 75525041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).