4-(aminomethyl)-N-ethyl-N-octylaniline

C17H30N2 — CID 43275853

IUPAC4-(aminomethyl)-N-ethyl-N-octylaniline
SMILESCCCCCCCCN(CC)c1ccc(CN)cc1
InChIInChI=1S/C17H30N2/c1-3-5-6-7-8-9-14-19(4-2)17-12-10-16(15-18)11-13-17/h10-13H,3-9,14-15,18H2,1-2H3
InChIKeyLZIFXWMAQNOMMZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.33
Rot. Bonds10

About 4-(aminomethyl)-N-ethyl-N-octylaniline

4-(aminomethyl)-N-ethyl-N-octylaniline (PubChem CID 43275853) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-octylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-octylaniline
PubChem CID43275853
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-(aminomethyl)-N-ethyl-N-octylaniline
SMILESCCCCCCCCN(CC)c1ccc(CN)cc1
InChIInChI=1S/C17H30N2/c1-3-5-6-7-8-9-14-19(4-2)17-12-10-16(15-18)11-13-17/h10-13H,3-9,14-15,18H2,1-2H3
InChIKeyLZIFXWMAQNOMMZ-UHFFFAOYSA-N
XLogP4.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-octyl-N-propylaniline
CID 43275934
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
4-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)aniline
CID 43807520
N,4-dibutyl-N-octylaniline
CID 175203597
bis[4-[decyl(ethyl)amino]phenyl]methanone
CID 150764383
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584404
N,N-diheptyl-4-methylaniline
CID 20558578
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-octylaniline?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-octylaniline (CID 43275853) is 4-(aminomethyl)-N-ethyl-N-octylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-octylaniline?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-octylaniline is CCCCCCCCN(CC)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-octylaniline?
The InChIKey is LZIFXWMAQNOMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-5-6-7-8-9-14-19(4-2)17-12-10-16(15-18)11-13-17/h10-13H,3-9,14-15,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-octylaniline?
4-(aminomethyl)-N-ethyl-N-octylaniline has a molecular weight of 262.44 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-octylaniline is sourced from PubChem (CID 43275853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).