N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine

C15H33N — CID 59583815

IUPACN-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine
SMILESCN(C(C)(C)C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-12(2,3)14(7,8)15(9,10)16(11)13(4,5)6/h1-11H3
InChIKeyARUWYCHLSPSUOL-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.57
Rot. Bonds2

About N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine

N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine (PubChem CID 59583815) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine
PubChem CID59583815
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine
SMILESCN(C(C)(C)C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-12(2,3)14(7,8)15(9,10)16(11)13(4,5)6/h1-11H3
InChIKeyARUWYCHLSPSUOL-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.57
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,2,3,3,4,4-hexamethylpentan-2-amine?
The IUPAC name of N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine (CID 59583815) is N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine.
What is the SMILES notation for N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine?
The canonical SMILES for N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine is CN(C(C)(C)C)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine?
The InChIKey is ARUWYCHLSPSUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-12(2,3)14(7,8)15(9,10)16(11)13(4,5)6/h1-11H3.
What are the key properties of N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine?
N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine has a molecular weight of 227.44 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2,3,3,4,4-hexamethylpentan-2-amine is sourced from PubChem (CID 59583815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).