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

C10H22N2 — CID 7176132

IUPAC3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
SMILESC[C@@H]1CCC[C@H](C)N1CCCN
InChIInChI=1S/C10H22N2/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8,11H2,1-2H3/t9-,10+
InChIKeyGHJFLCNNVJBMEX-AOOOYVTPSA-N
MW170.30 g/mol
LogP1.60
Rot. Bonds3

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

3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine (PubChem CID 7176132) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
PubChem CID7176132
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
SMILESC[C@@H]1CCC[C@H](C)N1CCCN
InChIInChI=1S/C10H22N2/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8,11H2,1-2H3/t9-,10+
InChIKeyGHJFLCNNVJBMEX-AOOOYVTPSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexyl-2,6-dimethylpiperidine
CID 6428887
4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
CID 19867661
3-(2,6-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 61386862
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60868216
2,6-dimethyl-1-pent-4-ynylpiperidine
CID 115873069
3-(2,3-dimethylaziridin-1-yl)propan-1-amine
CID 139518668
2-(2,6-dimethylpiperidin-1-yl)ethanethiol
CID 19607260
4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
CID 24711265
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine
CID 104967716
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
(1-heptyl-6-methylpiperidin-2-yl)methanamine
CID 63554513
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine (CID 7176132) is 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine is C[C@@H]1CCC[C@H](C)N1CCCN.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine?
The InChIKey is GHJFLCNNVJBMEX-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H22N2/c1-9-5-3-6-10(2)12(9)8-4-7-11/h9-10H,3-8,11H2,1-2H3/t9-,10+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine?
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine is sourced from PubChem (CID 7176132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).