N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline

C19H29N — CID 139352388

IUPACN-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline
SMILESC=CN(C)c1c(C)cc(C)c(CC(CC)C(=C)C)c1C
InChIInChI=1S/C19H29N/c1-9-17(13(3)4)12-18-14(5)11-15(6)19(16(18)7)20(8)10-2/h10-11,17H,2-3,9,12H2,1,4-8H3
InChIKeyAXAKMWCACDBADW-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.34
Rot. Bonds6

About N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline

N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline (PubChem CID 139352388) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline.

Molecular Properties

Compound NameN-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline
PubChem CID139352388
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline
SMILESC=CN(C)c1c(C)cc(C)c(CC(CC)C(=C)C)c1C
InChIInChI=1S/C19H29N/c1-9-17(13(3)4)12-18-14(5)11-15(6)19(16(18)7)20(8)10-2/h10-11,17H,2-3,9,12H2,1,4-8H3
InChIKeyAXAKMWCACDBADW-UHFFFAOYSA-N
XLogP5.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-acetamido-2,4,6-trimethylphenyl)methyl]butanamide
CID 155392784
methyl 2-[(2,3,5,6-tetramethylphenyl)methyl]butanoate
CID 116931289
azane;3-ethyl-2-methylpent-1-ene;hydrochloride
CID 175344836
2-[(N,2,3,5,6-pentamethylanilino)methyl]butanoic acid
CID 115249810
2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine
CID 146660642
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine
CID 79189836
2-(2,2-dibromoethyl)-1,3,4,5-tetramethylbenzene
CID 174718861
1-(2,4,6-trimethyl-3-prop-2-enylphenyl)ethanone
CID 20647497
ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene
CID 166473604
2-butan-2-yl-4-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,3,5-trimethylbenzene
CID 144518773
(3-ethyl-4-methylpent-4-enyl)benzene
CID 123220776
2-N-ethenyl-5-(1-ethoxyethenyl)-1-N,2-N-dimethyl-1-N-propan-2-ylbenzene-1,2,4-triamine
CID 156548373

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline?
The IUPAC name of N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline (CID 139352388) is N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline.
What is the SMILES notation for N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline?
The canonical SMILES for N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline is C=CN(C)c1c(C)cc(C)c(CC(CC)C(=C)C)c1C.
What is the InChIKey of N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline?
The InChIKey is AXAKMWCACDBADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-9-17(13(3)4)12-18-14(5)11-15(6)19(16(18)7)20(8)10-2/h10-11,17H,2-3,9,12H2,1,4-8H3.
What are the key properties of N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline?
N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline has a molecular weight of 271.45 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-(2-ethyl-3-methylbut-3-enyl)-N,2,4,6-tetramethylaniline is sourced from PubChem (CID 139352388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).