ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline

C23H43N — CID 155573940

IUPACethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline
SMILESC/C=C/CCC.C=C.CC.CCCNc1ccc(C)cc1CCC
InChIInChI=1S/C13H21N.C6H12.C2H6.C2H4/c1-4-6-12-10-11(3)7-8-13(12)14-9-5-2;1-3-5-6-4-2;2*1-2/h7-8,10,14H,4-6,9H2,1-3H3;3,5H,4,6H2,1-2H3;1-2H3;1-2H2/b;5-3+;;
InChIKeyMBGZVXDOAFIXOQ-WBFLYLAESA-N
MW333.60 g/mol
LogP7.96
Rot. Bonds7

About ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline

ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline (PubChem CID 155573940) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline.

Molecular Properties

Compound Nameethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline
PubChem CID155573940
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Nameethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline
SMILESC/C=C/CCC.C=C.CC.CCCNc1ccc(C)cc1CCC
InChIInChI=1S/C13H21N.C6H12.C2H6.C2H4/c1-4-6-12-10-11(3)7-8-13(12)14-9-5-2;1-3-5-6-4-2;2*1-2/h7-8,10,14H,4-6,9H2,1-3H3;3,5H,4,6H2,1-2H3;1-2H3;1-2H2/b;5-3+;;
InChIKeyMBGZVXDOAFIXOQ-WBFLYLAESA-N
XLogP7.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.96
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

ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline
CID 153334759
N,2-diethyl-4-methylaniline
CID 23348946
ethane;(E)-hex-2-ene
CID 142405633
4-methyl-2-N-propylbenzene-1,2-diamine
CID 58056820
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
1-methyl-3-(4-methyl-2-propylphenyl)urea
CID 151994223
butane;ethane;(E)-hex-2-ene
CID 143010099
4-[4-methyl-2-(propylamino)phenyl]butan-2-ol
CID 71051945
2-(2-butyl-4-methylanilino)acetic acid
CID 54469152
but-1-ene;2,4-dimethyl-1-propylbenzene;ethane
CID 165130204
N-(2-chloroethyl)-2-(3,3-dinitropropyl)-4-methylaniline
CID 57099263
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline?
The IUPAC name of ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline (CID 155573940) is ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline.
What is the SMILES notation for ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline?
The canonical SMILES for ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline is C/C=C/CCC.C=C.CC.CCCNc1ccc(C)cc1CCC.
What is the InChIKey of ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline?
The InChIKey is MBGZVXDOAFIXOQ-WBFLYLAESA-N. The full InChI is InChI=1S/C13H21N.C6H12.C2H6.C2H4/c1-4-6-12-10-11(3)7-8-13(12)14-9-5-2;1-3-5-6-4-2;2*1-2/h7-8,10,14H,4-6,9H2,1-3H3;3,5H,4,6H2,1-2H3;1-2H3;1-2H2/b;5-3+;;.
What are the key properties of ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline?
ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline has a molecular weight of 333.60 g/mol, XLogP of 7.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(E)-hex-2-ene;4-methyl-N,2-dipropylaniline is sourced from PubChem (CID 155573940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).