(2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine

C11H23NO — CID 28619324

IUPAC(2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine
SMILESCC[C@@H](C)[C@@H](C)NC[C@@H]1CCCO1
InChIInChI=1S/C11H23NO/c1-4-9(2)10(3)12-8-11-6-5-7-13-11/h9-12H,4-8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyGFVJGODTKYVXOH-MXWKQRLJSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine

(2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine (PubChem CID 28619324) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine
PubChem CID28619324
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine
SMILESCC[C@@H](C)[C@@H](C)NC[C@@H]1CCCO1
InChIInChI=1S/C11H23NO/c1-4-9(2)10(3)12-8-11-6-5-7-13-11/h9-12H,4-8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyGFVJGODTKYVXOH-MXWKQRLJSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine?
The IUPAC name of (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine (CID 28619324) is (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine.
What is the SMILES notation for (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine?
The canonical SMILES for (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine is CC[C@@H](C)[C@@H](C)NC[C@@H]1CCCO1.
What is the InChIKey of (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine?
The InChIKey is GFVJGODTKYVXOH-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-9(2)10(3)12-8-11-6-5-7-13-11/h9-12H,4-8H2,1-3H3/t9-,10-,11+/m1/s1.
What are the key properties of (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine?
(2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pentan-2-amine is sourced from PubChem (CID 28619324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).