3-[[ethyl(4-methylpentyl)amino]methyl]aniline

C15H26N2 — CID 83157449

IUPAC3-[[ethyl(4-methylpentyl)amino]methyl]aniline
SMILESCCN(CCCC(C)C)Cc1cccc(N)c1
InChIInChI=1S/C15H26N2/c1-4-17(10-6-7-13(2)3)12-14-8-5-9-15(16)11-14/h5,8-9,11,13H,4,6-7,10,12,16H2,1-3H3
InChIKeyLLTQIMYAJXQHAP-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.53
Rot. Bonds7

About 3-[[ethyl(4-methylpentyl)amino]methyl]aniline

3-[[ethyl(4-methylpentyl)amino]methyl]aniline (PubChem CID 83157449) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-[[ethyl(4-methylpentyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[ethyl(4-methylpentyl)amino]methyl]aniline
PubChem CID83157449
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-[[ethyl(4-methylpentyl)amino]methyl]aniline
SMILESCCN(CCCC(C)C)Cc1cccc(N)c1
InChIInChI=1S/C15H26N2/c1-4-17(10-6-7-13(2)3)12-14-8-5-9-15(16)11-14/h5,8-9,11,13H,4,6-7,10,12,16H2,1-3H3
InChIKeyLLTQIMYAJXQHAP-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.53
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

3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline
CID 106453553
3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline
CID 115341887
3-[[2-methylpentyl(propyl)amino]methyl]aniline
CID 62265016
3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180359
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
2-[(3-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459091
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
3-[(3-aminophenyl)methyl-propylamino]propane-1,2-diol
CID 82850437
3-[[bis(2-ethoxyethyl)amino]methyl]aniline
CID 82965943

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(4-methylpentyl)amino]methyl]aniline?
The IUPAC name of 3-[[ethyl(4-methylpentyl)amino]methyl]aniline (CID 83157449) is 3-[[ethyl(4-methylpentyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[ethyl(4-methylpentyl)amino]methyl]aniline?
The canonical SMILES for 3-[[ethyl(4-methylpentyl)amino]methyl]aniline is CCN(CCCC(C)C)Cc1cccc(N)c1.
What is the InChIKey of 3-[[ethyl(4-methylpentyl)amino]methyl]aniline?
The InChIKey is LLTQIMYAJXQHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-17(10-6-7-13(2)3)12-14-8-5-9-15(16)11-14/h5,8-9,11,13H,4,6-7,10,12,16H2,1-3H3.
What are the key properties of 3-[[ethyl(4-methylpentyl)amino]methyl]aniline?
3-[[ethyl(4-methylpentyl)amino]methyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(4-methylpentyl)amino]methyl]aniline is sourced from PubChem (CID 83157449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).