(3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine

C6H10N2 — CID 130298993

IUPAC(3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine
SMILES[2H]C([2H])([2H])C1=C[C@H](N)CN=C1
InChIInChI=1S/C6H10N2/c1-5-2-6(7)4-8-3-5/h2-3,6H,4,7H2,1H3/t6-/m0/s1/i1D3
InChIKeyMIRBGVDLNQVFEH-FYFSCIFKSA-N
MW113.18 g/mol
LogP0.34
Rot. Bonds1

About (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine

(3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine (PubChem CID 130298993) has the molecular formula C6H10N2 and a molecular weight of 113.18 g/mol. Its IUPAC name is (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine.

Molecular Properties

Compound Name(3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine
PubChem CID130298993
Molecular FormulaC6H10N2
Molecular Weight113.18 g/mol
Exact Mass113.10
IUPAC Name(3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine
SMILES[2H]C([2H])([2H])C1=C[C@H](N)CN=C1
InChIInChI=1S/C6H10N2/c1-5-2-6(7)4-8-3-5/h2-3,6H,4,7H2,1H3/t6-/m0/s1/i1D3
InChIKeyMIRBGVDLNQVFEH-FYFSCIFKSA-N
XLogP0.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine?
The IUPAC name of (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine (CID 130298993) is (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine.
What is the SMILES notation for (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine?
The canonical SMILES for (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine is [2H]C([2H])([2H])C1=C[C@H](N)CN=C1.
What is the InChIKey of (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine?
The InChIKey is MIRBGVDLNQVFEH-FYFSCIFKSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-2-6(7)4-8-3-5/h2-3,6H,4,7H2,1H3/t6-/m0/s1/i1D3.
What are the key properties of (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine?
(3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine has a molecular weight of 113.18 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(trideuteriomethyl)-2,3-dihydropyridin-3-amine is sourced from PubChem (CID 130298993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).