(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine

C13H22N2 — CID 130465955

IUPAC(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine
SMILESCC(C)[C@@H](C)[C@H](c1cccnc1)N(C)C
InChIInChI=1S/C13H22N2/c1-10(2)11(3)13(15(4)5)12-7-6-8-14-9-12/h6-11,13H,1-5H3/t11-,13-/m1/s1
InChIKeyXUPIHVNWDUKMCU-DGCLKSJQSA-N
MW206.33 g/mol
LogP2.98
Rot. Bonds4

About (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine

(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine (PubChem CID 130465955) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine
PubChem CID130465955
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine
SMILESCC(C)[C@@H](C)[C@H](c1cccnc1)N(C)C
InChIInChI=1S/C13H22N2/c1-10(2)11(3)13(15(4)5)12-7-6-8-14-9-12/h6-11,13H,1-5H3/t11-,13-/m1/s1
InChIKeyXUPIHVNWDUKMCU-DGCLKSJQSA-N
XLogP2.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
2-(dimethylamino)-2-pyridin-3-ylethanol
CID 54775729
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
CID 112657794
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
CID 80523424
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine?
The IUPAC name of (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine (CID 130465955) is (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine?
The canonical SMILES for (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine is CC(C)[C@@H](C)[C@H](c1cccnc1)N(C)C.
What is the InChIKey of (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine?
The InChIKey is XUPIHVNWDUKMCU-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)11(3)13(15(4)5)12-7-6-8-14-9-12/h6-11,13H,1-5H3/t11-,13-/m1/s1.
What are the key properties of (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine?
(1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N,N,2,3-tetramethyl-1-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 130465955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).