N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine

C17H37NO — CID 140921952

IUPACN-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine
SMILESCOC(CC(N(C)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37NO/c1-15(2,3)13(18(10)17(7,8)9)12-14(19-11)16(4,5)6/h13-14H,12H2,1-11H3
InChIKeyYQQIONJFBQQMNG-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.58
Rot. Bonds4

About N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine

N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine (PubChem CID 140921952) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine
PubChem CID140921952
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC NameN-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine
SMILESCOC(CC(N(C)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37NO/c1-15(2,3)13(18(10)17(7,8)9)12-14(19-11)16(4,5)6/h13-14H,12H2,1-11H3
InChIKeyYQQIONJFBQQMNG-UHFFFAOYSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine?
The IUPAC name of N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine (CID 140921952) is N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine.
What is the SMILES notation for N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine?
The canonical SMILES for N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine is COC(CC(N(C)C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine?
The InChIKey is YQQIONJFBQQMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-15(2,3)13(18(10)17(7,8)9)12-14(19-11)16(4,5)6/h13-14H,12H2,1-11H3.
What are the key properties of N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine?
N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine has a molecular weight of 271.49 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methoxy-N,2,2,6,6-pentamethylheptan-3-amine is sourced from PubChem (CID 140921952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).