3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline

C19H30N2 — CID 170073181

IUPAC3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline
SMILESC=C(CCCC)NCCC(=C)c1ccc(NC)cc1CC
InChIInChI=1S/C19H30N2/c1-6-8-9-16(4)21-13-12-15(3)19-11-10-18(20-5)14-17(19)7-2/h10-11,14,20-21H,3-4,6-9,12-13H2,1-2,5H3
InChIKeyVUTGMOADYDDNOL-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.99
Rot. Bonds10

About 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline

3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline (PubChem CID 170073181) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline.

Molecular Properties

Compound Name3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline
PubChem CID170073181
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline
SMILESC=C(CCCC)NCCC(=C)c1ccc(NC)cc1CC
InChIInChI=1S/C19H30N2/c1-6-8-9-16(4)21-13-12-15(3)19-11-10-18(20-5)14-17(19)7-2/h10-11,14,20-21H,3-4,6-9,12-13H2,1-2,5H3
InChIKeyVUTGMOADYDDNOL-UHFFFAOYSA-N
XLogP4.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene
CID 143316347
N-butylhept-1-en-2-amine
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formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol
CID 145109835
N-hexyloct-1-en-2-amine
CID 169110016
1-ethyl-2-pent-1-en-2-ylbenzene
CID 173350978
N-but-1-en-2-yl-3-ethyl-4-methylaniline
CID 155049153
2-ethyl-4-(octadecoxyamino)benzoic acid
CID 88658368
1-butyl-3-(3-ethyl-4-methylphenyl)urea
CID 113356321

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline?
The IUPAC name of 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline (CID 170073181) is 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline.
What is the SMILES notation for 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline?
The canonical SMILES for 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline is C=C(CCCC)NCCC(=C)c1ccc(NC)cc1CC.
What is the InChIKey of 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline?
The InChIKey is VUTGMOADYDDNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-6-8-9-16(4)21-13-12-15(3)19-11-10-18(20-5)14-17(19)7-2/h10-11,14,20-21H,3-4,6-9,12-13H2,1-2,5H3.
What are the key properties of 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline?
3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline has a molecular weight of 286.46 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline is sourced from PubChem (CID 170073181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).