N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline

C28H51N — CID 59671995

IUPACN-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline
SMILESCCN(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)c1ccccc1
InChIInChI=1S/C28H51N/c1-7-29(28-20-9-8-10-21-28)23-22-27(6)19-13-18-26(5)17-12-16-25(4)15-11-14-24(2)3/h8-10,20-21,24-27H,7,11-19,22-23H2,1-6H3
InChIKeyMSAFOXSULVFORG-UHFFFAOYSA-N
MW401.72 g/mol
LogP8.98
Rot. Bonds17

About N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline

N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline (PubChem CID 59671995) has the molecular formula C28H51N and a molecular weight of 401.72 g/mol. Its IUPAC name is N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline
PubChem CID59671995
Molecular FormulaC28H51N
Molecular Weight401.72 g/mol
Exact Mass401.40
IUPAC NameN-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline
SMILESCCN(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)c1ccccc1
InChIInChI=1S/C28H51N/c1-7-29(28-20-9-8-10-21-28)23-22-27(6)19-13-18-26(5)17-12-16-25(4)15-11-14-24(2)3/h8-10,20-21,24-27H,7,11-19,22-23H2,1-6H3
InChIKeyMSAFOXSULVFORG-UHFFFAOYSA-N
XLogP8.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N-bis(2-methylpropyl)aniline
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2-[N-(4-methylpentyl)anilino]acetic acid
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CID 63230057
2-amino-4-(N-ethylanilino)butanoic acid
CID 63027828
N-ethyl-N-(2-iodoethyl)aniline
CID 23460336
N'-ethyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 62424864
1-(3-methylbutyl)-1-phenylhydrazine
CID 22487049

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline?
The IUPAC name of N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline (CID 59671995) is N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline.
What is the SMILES notation for N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline?
The canonical SMILES for N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline is CCN(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline?
The InChIKey is MSAFOXSULVFORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N/c1-7-29(28-20-9-8-10-21-28)23-22-27(6)19-13-18-26(5)17-12-16-25(4)15-11-14-24(2)3/h8-10,20-21,24-27H,7,11-19,22-23H2,1-6H3.
What are the key properties of N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline?
N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline has a molecular weight of 401.72 g/mol, XLogP of 8.98, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,7,11,15-tetramethylhexadecyl)aniline is sourced from PubChem (CID 59671995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).