(2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine

C9H18N2 — CID 59885959

IUPAC(2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine
SMILESCN[C@@H]1C=C(C)CN(C)[C@H]1C
InChIInChI=1S/C9H18N2/c1-7-5-9(10-3)8(2)11(4)6-7/h5,8-10H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyDHYLTYWHJLUISL-DTWKUNHWSA-N
MW154.26 g/mol
LogP0.85
Rot. Bonds1

About (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine

(2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine (PubChem CID 59885959) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine.

Molecular Properties

Compound Name(2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine
PubChem CID59885959
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine
SMILESCN[C@@H]1C=C(C)CN(C)[C@H]1C
InChIInChI=1S/C9H18N2/c1-7-5-9(10-3)8(2)11(4)6-7/h5,8-10H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyDHYLTYWHJLUISL-DTWKUNHWSA-N
XLogP0.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine?
The IUPAC name of (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine (CID 59885959) is (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine.
What is the SMILES notation for (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine?
The canonical SMILES for (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine is CN[C@@H]1C=C(C)CN(C)[C@H]1C.
What is the InChIKey of (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine?
The InChIKey is DHYLTYWHJLUISL-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-5-9(10-3)8(2)11(4)6-7/h5,8-10H,6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine?
(2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,1,2,5-tetramethyl-3,6-dihydro-2H-pyridin-3-amine is sourced from PubChem (CID 59885959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).