(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane

C11H26N2 — CID 168910991

IUPAC(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
SMILESCC.CC1CN(C(C)C)C[C@H](C)N1
InChIInChI=1S/C9H20N2.C2H6/c1-7(2)11-5-8(3)10-9(4)6-11;1-2/h7-10H,5-6H2,1-4H3;1-2H3/t8-,9?;/m0./s1
InChIKeyGJLCQHLWGOXRLZ-GUORDYTPSA-N
MW186.34 g/mol
LogP2.10
Rot. Bonds1

About (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane

(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane (PubChem CID 168910991) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane.

Molecular Properties

Compound Name(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
PubChem CID168910991
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane
SMILESCC.CC1CN(C(C)C)C[C@H](C)N1
InChIInChI=1S/C9H20N2.C2H6/c1-7(2)11-5-8(3)10-9(4)6-11;1-2/h7-10H,5-6H2,1-4H3;1-2H3/t8-,9?;/m0./s1
InChIKeyGJLCQHLWGOXRLZ-GUORDYTPSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine
CID 167025725
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
CID 146675589
2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide
CID 63874454
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
3,5-dimethyl-1,4-di(propan-2-yl)piperidine
CID 171506139
(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 89279389
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
CID 169193368

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane?
The IUPAC name of (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane (CID 168910991) is (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane.
What is the SMILES notation for (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane?
The canonical SMILES for (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane is CC.CC1CN(C(C)C)C[C@H](C)N1.
What is the InChIKey of (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane?
The InChIKey is GJLCQHLWGOXRLZ-GUORDYTPSA-N. The full InChI is InChI=1S/C9H20N2.C2H6/c1-7(2)11-5-8(3)10-9(4)6-11;1-2/h7-10H,5-6H2,1-4H3;1-2H3/t8-,9?;/m0./s1.
What are the key properties of (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane?
(3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane has a molecular weight of 186.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-dimethyl-1-propan-2-ylpiperazine;ethane is sourced from PubChem (CID 168910991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).