2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline

C15H24N2 — CID 104583785

IUPAC2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1ccccc1CN(C)C
InChIInChI=1S/C15H24N2/c1-5-6-9-13(2)16-15-11-8-7-10-14(15)12-17(3)4/h5,7-8,10-11,13,16H,1,6,9,12H2,2-4H3
InChIKeyVUXFXQOCDQTUHO-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.51
Rot. Bonds7

About 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline

2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline (PubChem CID 104583785) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
PubChem CID104583785
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1ccccc1CN(C)C
InChIInChI=1S/C15H24N2/c1-5-6-9-13(2)16-15-11-8-7-10-14(15)12-17(3)4/h5,7-8,10-11,13,16H,1,6,9,12H2,2-4H3
InChIKeyVUXFXQOCDQTUHO-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
CID 43750163
3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583862
2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790
2-[(dimethylamino)methyl]-N-(1-pyridin-4-ylethyl)aniline
CID 43750176
2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline
CID 43750131
2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629331
2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
CID 103463971
2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43750190
N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide
CID 104583783
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
2-[2-[(dimethylamino)methyl]anilino]butanoic acid
CID 115353025
3-(hex-5-en-2-ylamino)-2,6-dimethylphenol
CID 104655583

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline (CID 104583785) is 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline is C=CCCC(C)Nc1ccccc1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline?
The InChIKey is VUXFXQOCDQTUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-6-9-13(2)16-15-11-8-7-10-14(15)12-17(3)4/h5,7-8,10-11,13,16H,1,6,9,12H2,2-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline?
2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline is sourced from PubChem (CID 104583785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).