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

C11H24N2 — CID 125425171

IUPAC(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine
SMILESCCCNC[C@H](C)[C@@H]1CCCCN1
InChIInChI=1S/C11H24N2/c1-3-7-12-9-10(2)11-6-4-5-8-13-11/h10-13H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyFJSVXCYBZPXHOO-QWRGUYRKSA-N
MW184.33 g/mol
LogP1.76
Rot. Bonds5

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

(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine (PubChem CID 125425171) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine
PubChem CID125425171
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine
SMILESCCCNC[C@H](C)[C@@H]1CCCCN1
InChIInChI=1S/C11H24N2/c1-3-7-12-9-10(2)11-6-4-5-8-13-11/h10-13H,3-9H2,1-2H3/t10-,11-/m0/s1
InChIKeyFJSVXCYBZPXHOO-QWRGUYRKSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propan-1-amine
CID 124705776
(2R)-2-butan-2-ylpiperidine
CID 145087457
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
2-pyrrolidin-2-ylpropylurea
CID 70245040
2-(1-fluorobutyl)piperidine
CID 105431346
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
(2S)-2-propan-2-ylpiperidine
CID 7022854
(2S)-2-pentan-3-ylpiperidine
CID 7048107
2-pentan-3-ylpiperidine
CID 4527381
2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
CID 63522393
ethane;2-propan-2-ylpiperidine
CID 154671868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine?
The IUPAC name of (2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine (CID 125425171) is (2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for (2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for (2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine is CCCNC[C@H](C)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine?
The InChIKey is FJSVXCYBZPXHOO-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-7-12-9-10(2)11-6-4-5-8-13-11/h10-13H,3-9H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine?
(2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-piperidin-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 125425171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).