4-[4-[butyl(ethyl)amino]butan-2-yl]aniline

C16H28N2 — CID 113419964

IUPAC4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
SMILESCCCCN(CC)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C16H28N2/c1-4-6-12-18(5-2)13-11-14(3)15-7-9-16(17)10-8-15/h7-10,14H,4-6,11-13,17H2,1-3H3
InChIKeyRDHHZGSTKRXAJF-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.88
Rot. Bonds8

About 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline

4-[4-[butyl(ethyl)amino]butan-2-yl]aniline (PubChem CID 113419964) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
PubChem CID113419964
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
SMILESCCCCN(CC)CCC(C)c1ccc(N)cc1
InChIInChI=1S/C16H28N2/c1-4-6-12-18(5-2)13-11-14(3)15-7-9-16(17)10-8-15/h7-10,14H,4-6,11-13,17H2,1-3H3
InChIKeyRDHHZGSTKRXAJF-UHFFFAOYSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
CID 104501682
4-docosan-2-ylaniline
CID 22757336
4-[1-[ethyl(propyl)amino]propan-2-yl]aniline
CID 57120163
N'-ethyl-N,N-dimethyl-N'-[(3S)-3-phenylbutyl]ethane-1,2-diamine
CID 2059338
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
4-(4-pentan-2-ylphenoxy)aniline
CID 19386569
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
N'-ethyl-2,2-dimethyl-N'-(3-phenylbutyl)propane-1,3-diamine
CID 79659967

Frequently Asked Questions

What is the IUPAC name of 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline?
The IUPAC name of 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline (CID 113419964) is 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline.
What is the SMILES notation for 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline?
The canonical SMILES for 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline is CCCCN(CC)CCC(C)c1ccc(N)cc1.
What is the InChIKey of 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline?
The InChIKey is RDHHZGSTKRXAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-6-12-18(5-2)13-11-14(3)15-7-9-16(17)10-8-15/h7-10,14H,4-6,11-13,17H2,1-3H3.
What are the key properties of 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline?
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline has a molecular weight of 248.41 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[butyl(ethyl)amino]butan-2-yl]aniline is sourced from PubChem (CID 113419964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).