2-[[octyl(propyl)amino]methyl]aniline

C18H32N2 — CID 43459961

IUPAC2-[[octyl(propyl)amino]methyl]aniline
SMILESCCCCCCCCN(CCC)Cc1ccccc1N
InChIInChI=1S/C18H32N2/c1-3-5-6-7-8-11-15-20(14-4-2)16-17-12-9-10-13-18(17)19/h9-10,12-13H,3-8,11,14-16,19H2,1-2H3
InChIKeyGKHGYYAJSHBUKR-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.84
Rot. Bonds11

About 2-[[octyl(propyl)amino]methyl]aniline

2-[[octyl(propyl)amino]methyl]aniline (PubChem CID 43459961) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-[[octyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[octyl(propyl)amino]methyl]aniline
PubChem CID43459961
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-[[octyl(propyl)amino]methyl]aniline
SMILESCCCCCCCCN(CCC)Cc1ccccc1N
InChIInChI=1S/C18H32N2/c1-3-5-6-7-8-11-15-20(14-4-2)16-17-12-9-10-13-18(17)19/h9-10,12-13H,3-8,11,14-16,19H2,1-2H3
InChIKeyGKHGYYAJSHBUKR-UHFFFAOYSA-N
XLogP4.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
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

2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine
CID 6425660
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
N-benzyl-N-propylhexan-1-amine
CID 123983090
2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline
CID 63262604
2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline
CID 82888255
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
CID 62324815
methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
2-tetradecylaniline
CID 22218918

Frequently Asked Questions

What is the IUPAC name of 2-[[octyl(propyl)amino]methyl]aniline?
The IUPAC name of 2-[[octyl(propyl)amino]methyl]aniline (CID 43459961) is 2-[[octyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[octyl(propyl)amino]methyl]aniline?
The canonical SMILES for 2-[[octyl(propyl)amino]methyl]aniline is CCCCCCCCN(CCC)Cc1ccccc1N.
What is the InChIKey of 2-[[octyl(propyl)amino]methyl]aniline?
The InChIKey is GKHGYYAJSHBUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-5-6-7-8-11-15-20(14-4-2)16-17-12-9-10-13-18(17)19/h9-10,12-13H,3-8,11,14-16,19H2,1-2H3.
What are the key properties of 2-[[octyl(propyl)amino]methyl]aniline?
2-[[octyl(propyl)amino]methyl]aniline has a molecular weight of 276.47 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[octyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 43459961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).