(3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine

C11H22N2O — CID 166869616

IUPAC(3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine
SMILESCN(C1COC1)[C@@H]1CN(C)C(C)(C)C1
InChIInChI=1S/C11H22N2O/c1-11(2)5-9(6-12(11)3)13(4)10-7-14-8-10/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyYKQMRKGGGJLILD-VIFPVBQESA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds2

About (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine

(3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine (PubChem CID 166869616) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine
PubChem CID166869616
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine
SMILESCN(C1COC1)[C@@H]1CN(C)C(C)(C)C1
InChIInChI=1S/C11H22N2O/c1-11(2)5-9(6-12(11)3)13(4)10-7-14-8-10/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyYKQMRKGGGJLILD-VIFPVBQESA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine (CID 166869616) is (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine is CN(C1COC1)[C@@H]1CN(C)C(C)(C)C1.
What is the InChIKey of (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine?
The InChIKey is YKQMRKGGGJLILD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)5-9(6-12(11)3)13(4)10-7-14-8-10/h9-10H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine?
(3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,1,5,5-tetramethyl-N-(oxetan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 166869616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).