(2S)-2,5-dimethylpyrrolidine;ethane

C8H19N — CID 177006469

IUPAC(2S)-2,5-dimethylpyrrolidine;ethane
SMILESCC.CC1CC[C@H](C)N1
InChIInChI=1S/C6H13N.C2H6/c1-5-3-4-6(2)7-5;1-2/h5-7H,3-4H2,1-2H3;1-2H3/t5-,6?;/m0./s1
InChIKeyREYNASFDUVPKML-GNVLWMSISA-N
MW129.25 g/mol
LogP2.17
Rot. Bonds

About (2S)-2,5-dimethylpyrrolidine;ethane

(2S)-2,5-dimethylpyrrolidine;ethane (PubChem CID 177006469) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is (2S)-2,5-dimethylpyrrolidine;ethane.

Molecular Properties

Compound Name(2S)-2,5-dimethylpyrrolidine;ethane
PubChem CID177006469
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name(2S)-2,5-dimethylpyrrolidine;ethane
SMILESCC.CC1CC[C@H](C)N1
InChIInChI=1S/C6H13N.C2H6/c1-5-3-4-6(2)7-5;1-2/h5-7H,3-4H2,1-2H3;1-2H3/t5-,6?;/m0./s1
InChIKeyREYNASFDUVPKML-GNVLWMSISA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Ethyl cyclohexylamine
CID 21609
Dihexylamine
CID 8920
Cyclohexylisopropylamine
CID 62386
N-Butyl cyclohexylamine
CID 24946
(R)-2-Methylpyrrolidine
CID 641544
2-Methylpyrrolidine
CID 13003
N-Methyl-2-heptanamine
CID 10896
2-(2-Aminoethyl)-1-methylpyrrolidine
CID 98388
2,5-Dimethylpyrrolidine
CID 96034
N-n-butyl-n-hexylamine
CID 559367
3-Heptylmethylamine
CID 44808
Pentyl(propan-2-yl)amine
CID 3015838

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-dimethylpyrrolidine;ethane?
The IUPAC name of (2S)-2,5-dimethylpyrrolidine;ethane (CID 177006469) is (2S)-2,5-dimethylpyrrolidine;ethane.
What is the SMILES notation for (2S)-2,5-dimethylpyrrolidine;ethane?
The canonical SMILES for (2S)-2,5-dimethylpyrrolidine;ethane is CC.CC1CC[C@H](C)N1.
What is the InChIKey of (2S)-2,5-dimethylpyrrolidine;ethane?
The InChIKey is REYNASFDUVPKML-GNVLWMSISA-N. The full InChI is InChI=1S/C6H13N.C2H6/c1-5-3-4-6(2)7-5;1-2/h5-7H,3-4H2,1-2H3;1-2H3/t5-,6?;/m0./s1.
What are the key properties of (2S)-2,5-dimethylpyrrolidine;ethane?
(2S)-2,5-dimethylpyrrolidine;ethane has a molecular weight of 129.25 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-dimethylpyrrolidine;ethane is sourced from PubChem (CID 177006469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).