4-[2-(hexan-2-ylamino)ethyl]aniline

C14H24N2 — CID 62199328

IUPAC4-[2-(hexan-2-ylamino)ethyl]aniline
SMILESCCCCC(C)NCCc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-3-4-5-12(2)16-11-10-13-6-8-14(15)9-7-13/h6-9,12,16H,3-5,10-11,15H2,1-2H3
InChIKeyJUWAQFRUWGLFJF-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.98
Rot. Bonds7

About 4-[2-(hexan-2-ylamino)ethyl]aniline

4-[2-(hexan-2-ylamino)ethyl]aniline (PubChem CID 62199328) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[2-(hexan-2-ylamino)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(hexan-2-ylamino)ethyl]aniline
PubChem CID62199328
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[2-(hexan-2-ylamino)ethyl]aniline
SMILESCCCCC(C)NCCc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-3-4-5-12(2)16-11-10-13-6-8-14(15)9-7-13/h6-9,12,16H,3-5,10-11,15H2,1-2H3
InChIKeyJUWAQFRUWGLFJF-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(hexan-2-ylamino)ethyl]aniline?
The IUPAC name of 4-[2-(hexan-2-ylamino)ethyl]aniline (CID 62199328) is 4-[2-(hexan-2-ylamino)ethyl]aniline.
What is the SMILES notation for 4-[2-(hexan-2-ylamino)ethyl]aniline?
The canonical SMILES for 4-[2-(hexan-2-ylamino)ethyl]aniline is CCCCC(C)NCCc1ccc(N)cc1.
What is the InChIKey of 4-[2-(hexan-2-ylamino)ethyl]aniline?
The InChIKey is JUWAQFRUWGLFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-5-12(2)16-11-10-13-6-8-14(15)9-7-13/h6-9,12,16H,3-5,10-11,15H2,1-2H3.
What are the key properties of 4-[2-(hexan-2-ylamino)ethyl]aniline?
4-[2-(hexan-2-ylamino)ethyl]aniline has a molecular weight of 220.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hexan-2-ylamino)ethyl]aniline is sourced from PubChem (CID 62199328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).