2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline

C30H55NO — CID 141020309

IUPAC2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline
SMILESCCCCOC(CCC(CCC)C(C)(C)C)Cc1ccccc1N(CCCC)CCCC
InChIInChI=1S/C30H55NO/c1-8-12-22-31(23-13-9-2)29-19-16-15-18-26(29)25-28(32-24-14-10-3)21-20-27(17-11-4)30(5,6)7/h15-16,18-19,27-28H,8-14,17,20-25H2,1-7H3
InChIKeyAOPYERYZRKMPCR-UHFFFAOYSA-N
MW445.78 g/mol
LogP9.06
Rot. Bonds18

About 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline

2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline (PubChem CID 141020309) has the molecular formula C30H55NO and a molecular weight of 445.78 g/mol. Its IUPAC name is 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline.

Molecular Properties

Compound Name2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline
PubChem CID141020309
Molecular FormulaC30H55NO
Molecular Weight445.78 g/mol
Exact Mass445.43
IUPAC Name2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline
SMILESCCCCOC(CCC(CCC)C(C)(C)C)Cc1ccccc1N(CCCC)CCCC
InChIInChI=1S/C30H55NO/c1-8-12-22-31(23-13-9-2)29-19-16-15-18-26(29)25-28(32-24-14-10-3)21-20-27(17-11-4)30(5,6)7/h15-16,18-19,27-28H,8-14,17,20-25H2,1-7H3
InChIKeyAOPYERYZRKMPCR-UHFFFAOYSA-N
XLogP9.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.78
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminopropyl)-N,N-dibutylaniline
CID 63786767
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761
N,N-dibutyl-2-propan-2-ylaniline
CID 67779975
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
(2R,5R)-2-[(2-methylpropan-2-yl)oxy]-5-octoxy-6-phenylhexan-1-ol
CID 15504575
N-[1-[2-(dipropylamino)phenyl]octan-2-yl]acetamide
CID 143207325
(2S,5R)-2-[(2-methylpropan-2-yl)oxy]-5-octoxy-6-phenylhexan-1-ol
CID 15504574
N-ethyl-N-(3-heptan-4-yloxypropyl)butan-1-amine
CID 142932877
2-(dioctadecylamino)phenol
CID 67178725
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
N,N-diethyl-2-heptadecylaniline
CID 175210337
N,N-diethyl-2-tetradecylaniline
CID 174968548

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline?
The IUPAC name of 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline (CID 141020309) is 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline.
What is the SMILES notation for 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline?
The canonical SMILES for 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline is CCCCOC(CCC(CCC)C(C)(C)C)Cc1ccccc1N(CCCC)CCCC.
What is the InChIKey of 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline?
The InChIKey is AOPYERYZRKMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55NO/c1-8-12-22-31(23-13-9-2)29-19-16-15-18-26(29)25-28(32-24-14-10-3)21-20-27(17-11-4)30(5,6)7/h15-16,18-19,27-28H,8-14,17,20-25H2,1-7H3.
What are the key properties of 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline?
2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline has a molecular weight of 445.78 g/mol, XLogP of 9.06, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxy-5-tert-butyloctyl)-N,N-dibutylaniline is sourced from PubChem (CID 141020309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).