N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine

C16H35N — CID 63507085

IUPACN-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine
SMILESCCC(CC)(CCC(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C16H35N/c1-9-16(10-2,12-11-14(3,4)5)13-17-15(6,7)8/h17H,9-13H2,1-8H3
InChIKeyAFUBYFIYEPBIOK-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.01
Rot. Bonds6

About N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine

N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine (PubChem CID 63507085) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine
PubChem CID63507085
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine
SMILESCCC(CC)(CCC(C)(C)C)CNC(C)(C)C
InChIInChI=1S/C16H35N/c1-9-16(10-2,12-11-14(3,4)5)13-17-15(6,7)8/h17H,9-13H2,1-8H3
InChIKeyAFUBYFIYEPBIOK-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine?
The IUPAC name of N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine (CID 63507085) is N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine is CCC(CC)(CCC(C)(C)C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine?
The InChIKey is AFUBYFIYEPBIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-9-16(10-2,12-11-14(3,4)5)13-17-15(6,7)8/h17H,9-13H2,1-8H3.
What are the key properties of N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine?
N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 63507085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).