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

C10H21NO — CID 97358167

IUPAC(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine
SMILESCC(C)[C@H](C)N[C@@H]1CCO[C@H]1C
InChIInChI=1S/C10H21NO/c1-7(2)8(3)11-10-5-6-12-9(10)4/h7-11H,5-6H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyDSXWOQCUECRLAY-LPEHRKFASA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

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

(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine (PubChem CID 97358167) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine
PubChem CID97358167
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine
SMILESCC(C)[C@H](C)N[C@@H]1CCO[C@H]1C
InChIInChI=1S/C10H21NO/c1-7(2)8(3)11-10-5-6-12-9(10)4/h7-11H,5-6H2,1-4H3/t8-,9-,10+/m0/s1
InChIKeyDSXWOQCUECRLAY-LPEHRKFASA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid
CID 82725687
N-(1-cyclohexylethyl)-2-methyloxolan-3-amine
CID 115338729
N-[(1R)-1-cyclohexylethyl]-2-methyloxolan-3-amine
CID 82718726
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057
N-(1-cyclopropylpropyl)-2-methyloxolan-3-amine
CID 82725942
N,N-diethyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337064
4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine
CID 164651094
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335540
N-[1-(4-iodophenyl)ethyl]-2-methyloxolan-3-amine
CID 82725741
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine
CID 82725548
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277
N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337032

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine?
The IUPAC name of (2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine (CID 97358167) is (2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine is CC(C)[C@H](C)N[C@@H]1CCO[C@H]1C.
What is the InChIKey of (2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine?
The InChIKey is DSXWOQCUECRLAY-LPEHRKFASA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)8(3)11-10-5-6-12-9(10)4/h7-11H,5-6H2,1-4H3/t8-,9-,10+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine?
(2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]oxolan-3-amine is sourced from PubChem (CID 97358167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).