N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine

C20H43N — CID 63509481

IUPACN-tert-butyl-2-butyl-2,4-diethyloctan-1-amine
SMILESCCCCC(CC)CC(CC)(CCCC)CNC(C)(C)C
InChIInChI=1S/C20H43N/c1-8-12-14-18(10-3)16-20(11-4,15-13-9-2)17-21-19(5,6)7/h18,21H,8-17H2,1-7H3
InChIKeyHYGVJCPGRNHZDG-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.57
Rot. Bonds12

About N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine

N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine (PubChem CID 63509481) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-butyl-2,4-diethyloctan-1-amine
PubChem CID63509481
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN-tert-butyl-2-butyl-2,4-diethyloctan-1-amine
SMILESCCCCC(CC)CC(CC)(CCCC)CNC(C)(C)C
InChIInChI=1S/C20H43N/c1-8-12-14-18(10-3)16-20(11-4,15-13-9-2)17-21-19(5,6)7/h18,21H,8-17H2,1-7H3
InChIKeyHYGVJCPGRNHZDG-UHFFFAOYSA-N
XLogP6.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-ethyl-2-propylhexan-1-amine
CID 63507407
N-tert-butyl-2-butyl-2-ethyl-5-methylhexan-1-amine
CID 63509483
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
2,2,4-triethyloctan-1-amine
CID 63522335
2-butyl-2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930649
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
N-tert-butyl-2-ethyldecan-1-amine
CID 55196031
2-(aminomethyl)-2,4-diethyloctan-1-ol
CID 106508240
5,5-bis(2-ethylhexyl)nonanedioic acid
CID 141156273
4-ethyl-2,2-dimethylundecane
CID 57148290
6,6-bis(2-ethylbutyl)undecane
CID 174469307
2-[(tert-butylamino)methyl]-2-ethylbutan-1-ol
CID 81411478

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine?
The IUPAC name of N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine (CID 63509481) is N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine.
What is the SMILES notation for N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine?
The canonical SMILES for N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine is CCCCC(CC)CC(CC)(CCCC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine?
The InChIKey is HYGVJCPGRNHZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-8-12-14-18(10-3)16-20(11-4,15-13-9-2)17-21-19(5,6)7/h18,21H,8-17H2,1-7H3.
What are the key properties of N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine?
N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-butyl-2,4-diethyloctan-1-amine is sourced from PubChem (CID 63509481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).