(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine

C13H28N2 — CID 93283182

IUPAC(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
SMILESCC[C@H](NC[C@@H]1CCCN1CC)C(C)C
InChIInChI=1S/C13H28N2/c1-5-13(11(3)4)14-10-12-8-7-9-15(12)6-2/h11-14H,5-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyBCZRSVBWTKKRAV-STQMWFEESA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds6

About (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine

(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine (PubChem CID 93283182) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
PubChem CID93283182
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
SMILESCC[C@H](NC[C@@H]1CCCN1CC)C(C)C
InChIInChI=1S/C13H28N2/c1-5-13(11(3)4)14-10-12-8-7-9-15(12)6-2/h11-14H,5-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyBCZRSVBWTKKRAV-STQMWFEESA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115706755
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)ethyl]pentan-3-amine
CID 115724992
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441091
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 43764797
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 43084476
2-methyl-N-[[1-(2-methylbutyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580562

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine?
The IUPAC name of (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine (CID 93283182) is (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine.
What is the SMILES notation for (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine?
The canonical SMILES for (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine is CC[C@H](NC[C@@H]1CCCN1CC)C(C)C.
What is the InChIKey of (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine?
The InChIKey is BCZRSVBWTKKRAV-STQMWFEESA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(11(3)4)14-10-12-8-7-9-15(12)6-2/h11-14H,5-10H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine?
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 93283182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).