N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine

C20H40N2 — CID 90246911

IUPACN-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine
SMILES[2H]N(C)C(=C)C1(C)N(C(C)C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C20H40N2/c1-14(2)22-19(10,11)17(6,7)16(4,5)18(8,9)20(22,12)15(3)21-13/h14,21H,3H2,1-2,4-13H3/i/hD
InChIKeyWCUVAVFOPGSPNH-DYCDLGHISA-N
MW309.56 g/mol
LogP5.06
Rot. Bonds3

About N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine

N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine (PubChem CID 90246911) has the molecular formula C20H40N2 and a molecular weight of 309.56 g/mol. Its IUPAC name is N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine.

Molecular Properties

Compound NameN-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine
PubChem CID90246911
Molecular FormulaC20H40N2
Molecular Weight309.56 g/mol
Exact Mass309.33
IUPAC NameN-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine
SMILES[2H]N(C)C(=C)C1(C)N(C(C)C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C20H40N2/c1-14(2)22-19(10,11)17(6,7)16(4,5)18(8,9)20(22,12)15(3)21-13/h14,21H,3H2,1-2,4-13H3/i/hD
InChIKeyWCUVAVFOPGSPNH-DYCDLGHISA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine?
The IUPAC name of N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine (CID 90246911) is N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine.
What is the SMILES notation for N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine?
The canonical SMILES for N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine is [2H]N(C)C(=C)C1(C)N(C(C)C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine?
The InChIKey is WCUVAVFOPGSPNH-DYCDLGHISA-N. The full InChI is InChI=1S/C20H40N2/c1-14(2)22-19(10,11)17(6,7)16(4,5)18(8,9)20(22,12)15(3)21-13/h14,21H,3H2,1-2,4-13H3/i/hD.
What are the key properties of N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine?
N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine has a molecular weight of 309.56 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-N-methyl-1-(2,3,3,4,4,5,5,6,6-nonamethyl-1-propan-2-ylpiperidin-2-yl)ethenamine is sourced from PubChem (CID 90246911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).