2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine

C9H21N3 — CID 131048640

IUPAC2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine
SMILESCC(C)[C@H]1CN[C@@H](CCN)CN1
InChIInChI=1S/C9H21N3/c1-7(2)9-6-11-8(3-4-10)5-12-9/h7-9,11-12H,3-6,10H2,1-2H3/t8-,9+/m0/s1
InChIKeyVLOBAYDNSZGYEU-DTWKUNHWSA-N
MW171.29 g/mol
LogP-0.08
Rot. Bonds3

About 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine

2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine (PubChem CID 131048640) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine
PubChem CID131048640
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine
SMILESCC(C)[C@H]1CN[C@@H](CCN)CN1
InChIInChI=1S/C9H21N3/c1-7(2)9-6-11-8(3-4-10)5-12-9/h7-9,11-12H,3-6,10H2,1-2H3/t8-,9+/m0/s1
InChIKeyVLOBAYDNSZGYEU-DTWKUNHWSA-N
XLogP-0.08
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine?
The IUPAC name of 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine (CID 131048640) is 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine?
The canonical SMILES for 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine is CC(C)[C@H]1CN[C@@H](CCN)CN1.
What is the InChIKey of 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine?
The InChIKey is VLOBAYDNSZGYEU-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)9-6-11-8(3-4-10)5-12-9/h7-9,11-12H,3-6,10H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine?
2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine has a molecular weight of 171.29 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine is sourced from PubChem (CID 131048640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).