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

C15H24N2 — CID 104583862

IUPAC3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C15H24N2/c1-5-6-8-13(2)16-15-10-7-9-14(11-15)12-17(3)4/h5,7,9-11,13,16H,1,6,8,12H2,2-4H3
InChIKeyHEYIYTLRRUVVSZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.51
Rot. Bonds7

About 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline

3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline (PubChem CID 104583862) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
PubChem CID104583862
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C15H24N2/c1-5-6-8-13(2)16-15-10-7-9-14(11-15)12-17(3)4/h5,7,9-11,13,16H,1,6,8,12H2,2-4H3
InChIKeyHEYIYTLRRUVVSZ-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

[3-(hex-5-en-2-ylamino)phenyl]methanol
CID 104655504
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline
CID 115918712
2-[3-[(dimethylamino)methyl]anilino]propanoic acid
CID 66173910
3-(hex-5-en-2-ylamino)benzamide
CID 104584057
2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583785
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide
CID 104583829
tert-butyl N-[2-[3-[(dimethylamino)methyl]anilino]propyl]carbamate
CID 103388229
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
CID 43688829
3-[(dimethylamino)methyl]-N-(3-methoxy-3-methylbutan-2-yl)aniline
CID 114228156
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828
N-hex-5-en-2-yl-4-methylaniline
CID 75525041

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline (CID 104583862) is 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline is C=CCCC(C)Nc1cccc(CN(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline?
The InChIKey is HEYIYTLRRUVVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-5-6-8-13(2)16-15-10-7-9-14(11-15)12-17(3)4/h5,7,9-11,13,16H,1,6,8,12H2,2-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline?
3-[(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 3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline is sourced from PubChem (CID 104583862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).