4-(2-ethylazepan-1-yl)-2-methylaniline

C15H24N2 — CID 104688805

IUPAC4-(2-ethylazepan-1-yl)-2-methylaniline
SMILESCCC1CCCCCN1c1ccc(N)c(C)c1
InChIInChI=1S/C15H24N2/c1-3-13-7-5-4-6-10-17(13)14-8-9-15(16)12(2)11-14/h8-9,11,13H,3-7,10,16H2,1-2H3
InChIKeyAWGGNAZECQAJST-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.74
Rot. Bonds2

About 4-(2-ethylazepan-1-yl)-2-methylaniline

4-(2-ethylazepan-1-yl)-2-methylaniline (PubChem CID 104688805) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(2-ethylazepan-1-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(2-ethylazepan-1-yl)-2-methylaniline
PubChem CID104688805
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-(2-ethylazepan-1-yl)-2-methylaniline
SMILESCCC1CCCCCN1c1ccc(N)c(C)c1
InChIInChI=1S/C15H24N2/c1-3-13-7-5-4-6-10-17(13)14-8-9-15(16)12(2)11-14/h8-9,11,13H,3-7,10,16H2,1-2H3
InChIKeyAWGGNAZECQAJST-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665
2-[1-(4-amino-3-methylphenyl)piperidin-2-yl]ethanol
CID 43436167
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
4-(2-ethylazepan-1-yl)-2-methylbenzaldehyde
CID 104690453
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
4-(2-ethylpiperidin-1-yl)-2-methylbenzaldehyde
CID 55038666
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958
5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline
CID 53410173
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
4-(2-ethylpyrrolidin-1-yl)-2-methylbenzenecarbothioamide
CID 81275990
4-(2-ethylpyrrolidin-1-yl)aniline
CID 60973731

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylazepan-1-yl)-2-methylaniline?
The IUPAC name of 4-(2-ethylazepan-1-yl)-2-methylaniline (CID 104688805) is 4-(2-ethylazepan-1-yl)-2-methylaniline.
What is the SMILES notation for 4-(2-ethylazepan-1-yl)-2-methylaniline?
The canonical SMILES for 4-(2-ethylazepan-1-yl)-2-methylaniline is CCC1CCCCCN1c1ccc(N)c(C)c1.
What is the InChIKey of 4-(2-ethylazepan-1-yl)-2-methylaniline?
The InChIKey is AWGGNAZECQAJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13-7-5-4-6-10-17(13)14-8-9-15(16)12(2)11-14/h8-9,11,13H,3-7,10,16H2,1-2H3.
What are the key properties of 4-(2-ethylazepan-1-yl)-2-methylaniline?
4-(2-ethylazepan-1-yl)-2-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylazepan-1-yl)-2-methylaniline is sourced from PubChem (CID 104688805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).