(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine

C9H20N2 — CID 124705776

IUPAC(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine
SMILESCNC[C@H](C)[C@@H]1CCCCN1
InChIInChI=1S/C9H20N2/c1-8(7-10-2)9-5-3-4-6-11-9/h8-11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyHLNLZFOGAQHTOJ-IUCAKERBSA-N
MW156.27 g/mol
LogP0.98
Rot. Bonds3

About (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine

(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine (PubChem CID 124705776) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine
PubChem CID124705776
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine
SMILESCNC[C@H](C)[C@@H]1CCCCN1
InChIInChI=1S/C9H20N2/c1-8(7-10-2)9-5-3-4-6-11-9/h8-11H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyHLNLZFOGAQHTOJ-IUCAKERBSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine
CID 125425171
(2R)-2-butan-2-ylpiperidine
CID 145087457
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
2-pyrrolidin-2-ylpropylurea
CID 70245040
(2R)-2-propan-2-ylazepane
CID 7048221
ethane;2-propan-2-ylpiperidine
CID 154671868
2-cycloheptyl-N-methylpropan-1-amine
CID 82931674
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773
4-piperidin-2-ylpentanoic acid
CID 174627267
(2S)-2-pentan-3-ylpiperidine
CID 7048107

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine?
The IUPAC name of (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine (CID 124705776) is (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine.
What is the SMILES notation for (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine?
The canonical SMILES for (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine is CNC[C@H](C)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine?
The InChIKey is HLNLZFOGAQHTOJ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(7-10-2)9-5-3-4-6-11-9/h8-11H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine?
(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine is sourced from PubChem (CID 124705776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).