methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine

C17H38N6 — CID 160971406

IUPACmethane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine
SMILESC.C.[2H]C1([2H])NC([2H])([2H])C([2H])(N)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])NC([2H])([2H])[C@]([2H])(N)C([2H])([2H])C1([2H])[2H].[2H]c1nc([2H])c(N)c([2H])c1[2H]
InChIInChI=1S/2C5H12N2.C5H6N2.2CH4/c3*6-5-2-1-3-7-4-5;;/h2*5,7H,1-4,6H2;1-4H,6H2;2*1H4/t5-;;;;/m1..../s1/i2*1D2,2D2,3D2,4D2,5D;1D,2D,3D,4D;;
InChIKeySYHLMNZFYINPRB-TUHUFGKSSA-N
MW348.67 g/mol
LogP1.33
Rot. Bonds

About methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine

methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine (PubChem CID 160971406) has the molecular formula C17H38N6 and a molecular weight of 348.67 g/mol. Its IUPAC name is methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine.

Molecular Properties

Compound Namemethane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine
PubChem CID160971406
Molecular FormulaC17H38N6
Molecular Weight348.67 g/mol
Exact Mass348.45
IUPAC Namemethane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine
SMILESC.C.[2H]C1([2H])NC([2H])([2H])C([2H])(N)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])NC([2H])([2H])[C@]([2H])(N)C([2H])([2H])C1([2H])[2H].[2H]c1nc([2H])c(N)c([2H])c1[2H]
InChIInChI=1S/2C5H12N2.C5H6N2.2CH4/c3*6-5-2-1-3-7-4-5;;/h2*5,7H,1-4,6H2;1-4H,6H2;2*1H4/t5-;;;;/m1..../s1/i2*1D2,2D2,3D2,4D2,5D;1D,2D,3D,4D;;
InChIKeySYHLMNZFYINPRB-TUHUFGKSSA-N
XLogP1.33
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 51.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine?
The IUPAC name of methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine (CID 160971406) is methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine.
What is the SMILES notation for methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine?
The canonical SMILES for methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine is C.C.[2H]C1([2H])NC([2H])([2H])C([2H])(N)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])NC([2H])([2H])[C@]([2H])(N)C([2H])([2H])C1([2H])[2H].[2H]c1nc([2H])c(N)c([2H])c1[2H].
What is the InChIKey of methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine?
The InChIKey is SYHLMNZFYINPRB-TUHUFGKSSA-N. The full InChI is InChI=1S/2C5H12N2.C5H6N2.2CH4/c3*6-5-2-1-3-7-4-5;;/h2*5,7H,1-4,6H2;1-4H,6H2;2*1H4/t5-;;;;/m1..../s1/i2*1D2,2D2,3D2,4D2,5D;1D,2D,3D,4D;;.
What are the key properties of methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine?
methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine has a molecular weight of 348.67 g/mol, XLogP of 1.33, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine is sourced from PubChem (CID 160971406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).