4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine

C14H30N2 — CID 104967667

IUPAC4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine
SMILESC[C@@H]1CCC[C@H](C)N1CC(C)(C)C(C)(C)N
InChIInChI=1S/C14H30N2/c1-11-8-7-9-12(2)16(11)10-13(3,4)14(5,6)15/h11-12H,7-10,15H2,1-6H3/t11-,12+
InChIKeyUBTPUMZDPKAKNX-TXEJJXNPSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds3

About 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine

4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine (PubChem CID 104967667) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine
PubChem CID104967667
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine
SMILESC[C@@H]1CCC[C@H](C)N1CC(C)(C)C(C)(C)N
InChIInChI=1S/C14H30N2/c1-11-8-7-9-12(2)16(11)10-13(3,4)14(5,6)15/h11-12H,7-10,15H2,1-6H3/t11-,12+
InChIKeyUBTPUMZDPKAKNX-TXEJJXNPSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropan-2-ol
CID 131140899
1-(2,5-dimethylpyrrolidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 131086173
methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate
CID 104968691
1-(2,6-dimethylpiperidin-1-yl)-2-phenylpropan-2-amine
CID 62489691
1-(2,6-dimethylpiperidin-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62834458
1-amino-2-cyclopropyl-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 104969021
2-amino-4-(2,6-dimethylpiperidin-1-yl)-2-methylbutan-1-ol
CID 64798894
1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one
CID 121340865
1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one
CID 121340853
4-(2,6-dimethylpiperidin-1-yl)but-2-en-1-amine
CID 77110579
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 104967185
2-amino-6-(2,6-dimethylpiperidin-1-yl)-2-methylhexan-1-ol
CID 64797401

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine (CID 104967667) is 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine is C[C@@H]1CCC[C@H](C)N1CC(C)(C)C(C)(C)N.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine?
The InChIKey is UBTPUMZDPKAKNX-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H30N2/c1-11-8-7-9-12(2)16(11)10-13(3,4)14(5,6)15/h11-12H,7-10,15H2,1-6H3/t11-,12+.
What are the key properties of 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine?
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 104967667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).