N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine

C18H39NO — CID 140921960

IUPACN-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine
SMILESCOC(C(C)C(N(C)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H39NO/c1-13(15(20-12)17(5,6)7)14(16(2,3)4)19(11)18(8,9)10/h13-15H,1-12H3
InChIKeyARFDKNQLXPFDIY-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.83
Rot. Bonds4

About N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine

N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine (PubChem CID 140921960) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine
PubChem CID140921960
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine
SMILESCOC(C(C)C(N(C)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H39NO/c1-13(15(20-12)17(5,6)7)14(16(2,3)4)19(11)18(8,9)10/h13-15H,1-12H3
InChIKeyARFDKNQLXPFDIY-UHFFFAOYSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.83
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,2,2,4,6,6-hexamethylheptan-3-amine?
The IUPAC name of N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine (CID 140921960) is N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine.
What is the SMILES notation for N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine?
The canonical SMILES for N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine is COC(C(C)C(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,2,2,4,6,6-hexamethylheptan-3-amine?
The InChIKey is ARFDKNQLXPFDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-13(15(20-12)17(5,6)7)14(16(2,3)4)19(11)18(8,9)10/h13-15H,1-12H3.
What are the key properties of N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine?
N-tert-butyl-5-methoxy-N,2,2,4,6,6-hexamethylheptan-3-amine has a molecular weight of 285.52 g/mol, XLogP of 4.83, 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,2,2,4,6,6-hexamethylheptan-3-amine is sourced from PubChem (CID 140921960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).