(3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine

C13H28N2O — CID 166869609

IUPAC(3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCOCCN(C)[C@@H]1CN(C(C)C)C(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)15-10-12(9-13(15,3)4)14(5)7-8-16-6/h11-12H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyUGQSXPTWIHWEQU-LBPRGKRZSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds5

About (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine

(3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 166869609) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID166869609
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCOCCN(C)[C@@H]1CN(C(C)C)C(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)15-10-12(9-13(15,3)4)14(5)7-8-16-6/h11-12H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyUGQSXPTWIHWEQU-LBPRGKRZSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine (CID 166869609) is (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine is COCCN(C)[C@@H]1CN(C(C)C)C(C)(C)C1.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is UGQSXPTWIHWEQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15-10-12(9-13(15,3)4)14(5)7-8-16-6/h11-12H,7-10H2,1-6H3/t12-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine?
(3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-N,5,5-trimethyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 166869609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).