(3S)-1-(2-methoxyethyl)pyrrolidin-3-amine

C7H16N2O — CID 10796871

IUPAC(3S)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC[C@H](N)C1
InChIInChI=1S/C7H16N2O/c1-10-5-4-9-3-2-7(8)6-9/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeySRWRVWNAMHIATJ-ZETCQYMHSA-N
MW144.22 g/mol
LogP-0.33
Rot. Bonds3

About (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine

(3S)-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 10796871) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID10796871
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(3S)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CC[C@H](N)C1
InChIInChI=1S/C7H16N2O/c1-10-5-4-9-3-2-7(8)6-9/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeySRWRVWNAMHIATJ-ZETCQYMHSA-N
XLogP-0.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 10796871) is (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is SRWRVWNAMHIATJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O/c1-10-5-4-9-3-2-7(8)6-9/h7H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine?
(3S)-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 144.22 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 10796871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).