N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine

C14H31N — CID 176737681

IUPACN-tert-butyl-N,2,5,5-tetramethylhexan-2-amine
SMILESCN(C(C)(C)C)C(C)(C)CCC(C)(C)C
InChIInChI=1S/C14H31N/c1-12(2,3)10-11-14(7,8)15(9)13(4,5)6/h10-11H2,1-9H3
InChIKeyAGDYSRBNSYBBSU-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.32
Rot. Bonds3

About N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine

N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine (PubChem CID 176737681) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N,2,5,5-tetramethylhexan-2-amine
PubChem CID176737681
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-tert-butyl-N,2,5,5-tetramethylhexan-2-amine
SMILESCN(C(C)(C)C)C(C)(C)CCC(C)(C)C
InChIInChI=1S/C14H31N/c1-12(2,3)10-11-14(7,8)15(9)13(4,5)6/h10-11H2,1-9H3
InChIKeyAGDYSRBNSYBBSU-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine?
The IUPAC name of N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine (CID 176737681) is N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine.
What is the SMILES notation for N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine?
The canonical SMILES for N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine is CN(C(C)(C)C)C(C)(C)CCC(C)(C)C.
What is the InChIKey of N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine?
The InChIKey is AGDYSRBNSYBBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-12(2,3)10-11-14(7,8)15(9)13(4,5)6/h10-11H2,1-9H3.
What are the key properties of N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine?
N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2,5,5-tetramethylhexan-2-amine is sourced from PubChem (CID 176737681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).