1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane

C25H51N — CID 159928201

IUPAC1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane
SMILESCC.CCC(C)C.CCCN(C)CC.CCc1ccc(C(C)CC)cc1
InChIInChI=1S/C12H18.C6H15N.C5H12.C2H6/c1-4-10(3)12-8-6-11(5-2)7-9-12;1-4-6-7(3)5-2;1-4-5(2)3;1-2/h6-10H,4-5H2,1-3H3;4-6H2,1-3H3;5H,4H2,1-3H3;1-2H3
InChIKeyNZHHQDFPXXHUSM-UHFFFAOYSA-N
MW365.69 g/mol
LogP8.19
Rot. Bonds7

About 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane

1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane (PubChem CID 159928201) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane.

Molecular Properties

Compound Name1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane
PubChem CID159928201
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC Name1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane
SMILESCC.CCC(C)C.CCCN(C)CC.CCc1ccc(C(C)CC)cc1
InChIInChI=1S/C12H18.C6H15N.C5H12.C2H6/c1-4-10(3)12-8-6-11(5-2)7-9-12;1-4-6-7(3)5-2;1-4-5(2)3;1-2/h6-10H,4-5H2,1-3H3;4-6H2,1-3H3;5H,4H2,1-3H3;1-2H3
InChIKeyNZHHQDFPXXHUSM-UHFFFAOYSA-N
XLogP8.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butan-2-ylphenyl)-4-ethyl-N-(4-propylphenyl)aniline
CID 143650432
[2-(4-butan-2-ylphenyl)ethyl-methylamino]methanethiol
CID 115228380
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
3-[(4-butan-2-ylphenyl)methyl-propylamino]propanenitrile
CID 21044621
2-(4-butan-2-ylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258991
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196909
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane?
The IUPAC name of 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane (CID 159928201) is 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane.
What is the SMILES notation for 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane?
The canonical SMILES for 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane is CC.CCC(C)C.CCCN(C)CC.CCc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane?
The InChIKey is NZHHQDFPXXHUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C6H15N.C5H12.C2H6/c1-4-10(3)12-8-6-11(5-2)7-9-12;1-4-6-7(3)5-2;1-4-5(2)3;1-2/h6-10H,4-5H2,1-3H3;4-6H2,1-3H3;5H,4H2,1-3H3;1-2H3.
What are the key properties of 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane?
1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane has a molecular weight of 365.69 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-ethylbenzene;ethane;N-ethyl-N-methylpropan-1-amine;2-methylbutane is sourced from PubChem (CID 159928201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).