2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine

C12H26N2 — CID 104967794

IUPAC2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine
SMILESCCC(CN)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H26N2/c1-4-12(8-13)9-14-10(2)6-5-7-11(14)3/h10-12H,4-9,13H2,1-3H3/t10-,11+,12?
InChIKeyACXCCXLNMJTRTL-FOSCPWQOSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds4

About 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine

2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine (PubChem CID 104967794) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine
PubChem CID104967794
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine
SMILESCCC(CN)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H26N2/c1-4-12(8-13)9-14-10(2)6-5-7-11(14)3/h10-12H,4-9,13H2,1-3H3/t10-,11+,12?
InChIKeyACXCCXLNMJTRTL-FOSCPWQOSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine?
The IUPAC name of 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine (CID 104967794) is 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine.
What is the SMILES notation for 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine?
The canonical SMILES for 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine is CCC(CN)CN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine?
The InChIKey is ACXCCXLNMJTRTL-FOSCPWQOSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-12(8-13)9-14-10(2)6-5-7-11(14)3/h10-12H,4-9,13H2,1-3H3/t10-,11+,12?.
What are the key properties of 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine?
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine is sourced from PubChem (CID 104967794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).