(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine

C24H51N — CID 97464987

IUPAC(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
SMILESCCCC[C@@H](CC)C[C@@H](CC)CNC[C@@H](CC)C[C@@H](CC)CCCC
InChIInChI=1S/C24H51N/c1-7-13-15-21(9-3)17-23(11-5)19-25-20-24(12-6)18-22(10-4)16-14-8-2/h21-25H,7-20H2,1-6H3/t21-,22+,23-,24+
InChIKeyTUWPUFVJJBETKM-WAPCQROESA-N
MW353.68 g/mol
LogP7.84
Rot. Bonds18

About (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine

(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine (PubChem CID 97464987) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine.

Molecular Properties

Compound Name(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
PubChem CID97464987
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC Name(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
SMILESCCCC[C@@H](CC)C[C@@H](CC)CNC[C@@H](CC)C[C@@H](CC)CCCC
InChIInChI=1S/C24H51N/c1-7-13-15-21(9-3)17-23(11-5)19-25-20-24(12-6)18-22(10-4)16-14-8-2/h21-25H,7-20H2,1-6H3/t21-,22+,23-,24+
InChIKeyTUWPUFVJJBETKM-WAPCQROESA-N
XLogP7.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine with MolForge

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Related Compounds

(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
(5S)-3,5-diethylnonane;methane
CID 159387669
N,2-diethylhexan-1-amine
CID 14272988
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
CID 102905339
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
5,8,10-triethylpentadecane
CID 123791231
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N,5-diethyl-2,3-dimethylnonan-1-amine
CID 81016450
magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
CID 175293817

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine?
The IUPAC name of (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine (CID 97464987) is (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine.
What is the SMILES notation for (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine?
The canonical SMILES for (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine is CCCC[C@@H](CC)C[C@@H](CC)CNC[C@@H](CC)C[C@@H](CC)CCCC.
What is the InChIKey of (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine?
The InChIKey is TUWPUFVJJBETKM-WAPCQROESA-N. The full InChI is InChI=1S/C24H51N/c1-7-13-15-21(9-3)17-23(11-5)19-25-20-24(12-6)18-22(10-4)16-14-8-2/h21-25H,7-20H2,1-6H3/t21-,22+,23-,24+.
What are the key properties of (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine?
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine has a molecular weight of 353.68 g/mol, XLogP of 7.84, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine is sourced from PubChem (CID 97464987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).