(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine

C10H22N2 — CID 124669022

IUPAC(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine
SMILESC[C@@H]1C[C@H](C)CN([C@H](C)CN)C1
InChIInChI=1S/C10H22N2/c1-8-4-9(2)7-12(6-8)10(3)5-11/h8-10H,4-7,11H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyWGEAIYISKQEKLT-KXUCPTDWSA-N
MW170.30 g/mol
LogP1.31
Rot. Bonds2

About (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine

(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine (PubChem CID 124669022) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine
PubChem CID124669022
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine
SMILESC[C@@H]1C[C@H](C)CN([C@H](C)CN)C1
InChIInChI=1S/C10H22N2/c1-8-4-9(2)7-12(6-8)10(3)5-11/h8-10H,4-7,11H2,1-3H3/t8-,9+,10-/m1/s1
InChIKeyWGEAIYISKQEKLT-KXUCPTDWSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine
CID 51670774
1-(1-aminopropan-2-yl)azetidin-3-ol
CID 83815022
N-[2-(3,5-dimethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62423227
3-(3,5-dimethylpiperidin-1-yl)butanimidamide
CID 60914525
[5-methyl-1-(3-methylbutan-2-yl)piperidin-3-yl]methanamine
CID 130874625
N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62424497
1-butan-2-yl-3-chloro-5-methylpiperidine
CID 130802847
2-(3,5-dimethylpiperidin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62557815
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
4-amino-3-(3,5-dimethylpiperidin-1-yl)-N-propan-2-ylbutanamide
CID 66430561
5-methyl-1-(4-methylpentan-2-yl)piperidin-3-ol
CID 130857038
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine?
The IUPAC name of (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine (CID 124669022) is (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine.
What is the SMILES notation for (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine?
The canonical SMILES for (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine is C[C@@H]1C[C@H](C)CN([C@H](C)CN)C1.
What is the InChIKey of (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine?
The InChIKey is WGEAIYISKQEKLT-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H22N2/c1-8-4-9(2)7-12(6-8)10(3)5-11/h8-10H,4-7,11H2,1-3H3/t8-,9+,10-/m1/s1.
What are the key properties of (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine?
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-amine is sourced from PubChem (CID 124669022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).