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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Related Compounds

3-[(2R,5R)-5-(2-aminoethyl)piperazin-2-yl]propanoic acid
CID 101205272
2-[(2S,4R)-4-ethylpyrrolidin-2-yl]ethanamine
CID 124676173
2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine
CID 97297925
2-propylaziridine
CID 544792
3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol
CID 18724102
4-[(5-propan-2-ylpiperazin-2-yl)oxymethyl]-1,3-thiazolidine
CID 155003920
(3S,4aS,8aS)-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 59913049
(2R,4S)-4-(3-methylbutoxy)-2-propan-2-ylpyrrolidine
CID 99994737
4,5-dimethyl-2-propan-2-ylpiperidine
CID 59968909
2-(3-ethylpentyl)aziridine
CID 54037862
(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine
CID 59459275
4-chloro-2-propan-2-ylpyrrolidine
CID 57194376

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).