4-[2-(5-methylhexylamino)ethyl]aniline

C15H26N2 — CID 115326174

IUPAC4-[2-(5-methylhexylamino)ethyl]aniline
SMILESCC(C)CCCCNCCc1ccc(N)cc1
InChIInChI=1S/C15H26N2/c1-13(2)5-3-4-11-17-12-10-14-6-8-15(16)9-7-14/h6-9,13,17H,3-5,10-12,16H2,1-2H3
InChIKeyHMTOYICSBJQILB-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.23
Rot. Bonds8

About 4-[2-(5-methylhexylamino)ethyl]aniline

4-[2-(5-methylhexylamino)ethyl]aniline (PubChem CID 115326174) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-[2-(5-methylhexylamino)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(5-methylhexylamino)ethyl]aniline
PubChem CID115326174
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-[2-(5-methylhexylamino)ethyl]aniline
SMILESCC(C)CCCCNCCc1ccc(N)cc1
InChIInChI=1S/C15H26N2/c1-13(2)5-3-4-11-17-12-10-14-6-8-15(16)9-7-14/h6-9,13,17H,3-5,10-12,16H2,1-2H3
InChIKeyHMTOYICSBJQILB-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(7-methyloctylamino)propyl]aniline
CID 107815674
4-[2-(octylamino)ethyl]aniline
CID 113337418
5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine
CID 115325808
1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
CID 115324575
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-[2-(4-aminophenyl)ethyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;trihydrochloride
CID 70044329
4-[2-(hexan-2-ylamino)ethyl]aniline
CID 62199328
2-fluoro-4-[(5-methylhexylamino)methyl]aniline
CID 113287600
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[3-(2,2,3-trimethylbutylamino)propyl]aniline
CID 114100569

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylhexylamino)ethyl]aniline?
The IUPAC name of 4-[2-(5-methylhexylamino)ethyl]aniline (CID 115326174) is 4-[2-(5-methylhexylamino)ethyl]aniline.
What is the SMILES notation for 4-[2-(5-methylhexylamino)ethyl]aniline?
The canonical SMILES for 4-[2-(5-methylhexylamino)ethyl]aniline is CC(C)CCCCNCCc1ccc(N)cc1.
What is the InChIKey of 4-[2-(5-methylhexylamino)ethyl]aniline?
The InChIKey is HMTOYICSBJQILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)5-3-4-11-17-12-10-14-6-8-15(16)9-7-14/h6-9,13,17H,3-5,10-12,16H2,1-2H3.
What are the key properties of 4-[2-(5-methylhexylamino)ethyl]aniline?
4-[2-(5-methylhexylamino)ethyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylhexylamino)ethyl]aniline is sourced from PubChem (CID 115326174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).