ethane;2-ethyl-4-heptan-4-ylaniline

C17H31N — CID 155722172

IUPACethane;2-ethyl-4-heptan-4-ylaniline
SMILESCC.CCCC(CCC)c1ccc(N)c(CC)c1
InChIInChI=1S/C15H25N.C2H6/c1-4-7-13(8-5-2)14-9-10-15(16)12(6-3)11-14;1-2/h9-11,13H,4-8,16H2,1-3H3;1-2H3
InChIKeyKYFFJWMPLVFPEN-UHFFFAOYSA-N
MW249.44 g/mol
LogP5.54
Rot. Bonds6

About ethane;2-ethyl-4-heptan-4-ylaniline

ethane;2-ethyl-4-heptan-4-ylaniline (PubChem CID 155722172) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is ethane;2-ethyl-4-heptan-4-ylaniline.

Molecular Properties

Compound Nameethane;2-ethyl-4-heptan-4-ylaniline
PubChem CID155722172
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Nameethane;2-ethyl-4-heptan-4-ylaniline
SMILESCC.CCCC(CCC)c1ccc(N)c(CC)c1
InChIInChI=1S/C15H25N.C2H6/c1-4-7-13(8-5-2)14-9-10-15(16)12(6-3)11-14;1-2/h9-11,13H,4-8,16H2,1-3H3;1-2H3
InChIKeyKYFFJWMPLVFPEN-UHFFFAOYSA-N
XLogP5.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[1,1-bis(3-ethyl-4-hydroxyphenyl)hexan-3-yl]-2-ethylphenol
CID 174807108
bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
5-heptan-4-yl-2-(4-heptan-4-yl-2-hydroxyphenyl)phenol
CID 66659268
3-[2-(4-amino-3-ethylphenyl)-2-(dimethylamino)ethylidene]pentane-2,4-dione
CID 142897735
3-(3-amino-4-chlorophenyl)hexanoic acid
CID 67216299
4-[1-[4-[(4-amino-3-ethylphenyl)methyl]-2-ethylanilino]butyl]phenol
CID 59364811
ethane;2-ethylaniline
CID 90841248
4-(4-amino-3-ethylphenyl)butan-2-one;ethane
CID 143247195
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)butyl]phenol
CID 139671739
2-ethyl-4-heptan-4-yl-6-(methoxymethyl)phenol
CID 143920624
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-heptan-4-ylaniline?
The IUPAC name of ethane;2-ethyl-4-heptan-4-ylaniline (CID 155722172) is ethane;2-ethyl-4-heptan-4-ylaniline.
What is the SMILES notation for ethane;2-ethyl-4-heptan-4-ylaniline?
The canonical SMILES for ethane;2-ethyl-4-heptan-4-ylaniline is CC.CCCC(CCC)c1ccc(N)c(CC)c1.
What is the InChIKey of ethane;2-ethyl-4-heptan-4-ylaniline?
The InChIKey is KYFFJWMPLVFPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N.C2H6/c1-4-7-13(8-5-2)14-9-10-15(16)12(6-3)11-14;1-2/h9-11,13H,4-8,16H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-heptan-4-ylaniline?
ethane;2-ethyl-4-heptan-4-ylaniline has a molecular weight of 249.44 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-heptan-4-ylaniline is sourced from PubChem (CID 155722172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).