(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine

C10H22N2 — CID 103934796

IUPAC(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine
SMILESCCC1CCC(C)N1C[C@H](C)N
InChIInChI=1S/C10H22N2/c1-4-10-6-5-9(3)12(10)7-8(2)11/h8-10H,4-7,11H2,1-3H3/t8-,9?,10?/m0/s1
InChIKeyOOJGZTMJGJFZOH-IDKOKCKLSA-N
MW170.30 g/mol
LogP1.60
Rot. Bonds3

About (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine

(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine (PubChem CID 103934796) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine
PubChem CID103934796
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine
SMILESCCC1CCC(C)N1C[C@H](C)N
InChIInChI=1S/C10H22N2/c1-4-10-6-5-9(3)12(10)7-8(2)11/h8-10H,4-7,11H2,1-3H3/t8-,9?,10?/m0/s1
InChIKeyOOJGZTMJGJFZOH-IDKOKCKLSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methylpentan-1-amine
CID 83220839
1-(2,2-dimethoxyethyl)-2-ethyl-5-methylpyrrolidine
CID 83220743
1-[2-(bromomethyl)-3-methylbutyl]-2-ethyl-5-methylpyrrolidine
CID 83218678
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine
CID 83219988
1-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-2-amine
CID 83220245
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 83219344
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107521951
1-[4-(aminomethyl)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanol
CID 83227590
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
benzyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropanoate
CID 106484384
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 83219079
2-ethyl-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-amine
CID 83219853

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine (CID 103934796) is (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine is CCC1CCC(C)N1C[C@H](C)N.
What is the InChIKey of (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine?
The InChIKey is OOJGZTMJGJFZOH-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-10-6-5-9(3)12(10)7-8(2)11/h8-10H,4-7,11H2,1-3H3/t8-,9?,10?/m0/s1.
What are the key properties of (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine?
(2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-amine is sourced from PubChem (CID 103934796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).