4-(1-aminooctyl)aniline

C14H24N2 — CID 137458153

IUPAC4-(1-aminooctyl)aniline
SMILESCCCCCCCC(N)c1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,14H,2-7,15-16H2,1H3
InChIKeyUJEQVGHLOLFSRF-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.63
Rot. Bonds7

About 4-(1-aminooctyl)aniline

4-(1-aminooctyl)aniline (PubChem CID 137458153) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(1-aminooctyl)aniline.

Molecular Properties

Compound Name4-(1-aminooctyl)aniline
PubChem CID137458153
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(1-aminooctyl)aniline
SMILESCCCCCCCC(N)c1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,14H,2-7,15-16H2,1H3
InChIKeyUJEQVGHLOLFSRF-UHFFFAOYSA-N
XLogP3.63
TPSA52.04 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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)decan-1-amine
CID 63412475
1-(4-iodophenyl)heptan-1-amine
CID 115833109
4-(1-aminododecyl)phenol
CID 174770403
1-phenyldecan-1-amine
CID 43175860
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
4-docosan-2-ylaniline
CID 22757336
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminooctyl)aniline?
The IUPAC name of 4-(1-aminooctyl)aniline (CID 137458153) is 4-(1-aminooctyl)aniline.
What is the SMILES notation for 4-(1-aminooctyl)aniline?
The canonical SMILES for 4-(1-aminooctyl)aniline is CCCCCCCC(N)c1ccc(N)cc1.
What is the InChIKey of 4-(1-aminooctyl)aniline?
The InChIKey is UJEQVGHLOLFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-3-4-5-6-7-14(16)12-8-10-13(15)11-9-12/h8-11,14H,2-7,15-16H2,1H3.
What are the key properties of 4-(1-aminooctyl)aniline?
4-(1-aminooctyl)aniline has a molecular weight of 220.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminooctyl)aniline is sourced from PubChem (CID 137458153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).