(2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine

C9H20N2O — CID 70049142

IUPAC(2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine
SMILESCC(C)C(CN)CC1NCCO1
InChIInChI=1S/C9H20N2O/c1-7(2)8(6-10)5-9-11-3-4-12-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeyDLDITPCAACCAEF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.55
Rot. Bonds4

About (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine

(2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine (PubChem CID 70049142) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name(2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine
PubChem CID70049142
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine
SMILESCC(C)C(CN)CC1NCCO1
InChIInChI=1S/C9H20N2O/c1-7(2)8(6-10)5-9-11-3-4-12-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeyDLDITPCAACCAEF-UHFFFAOYSA-N
XLogP0.55
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine (CID 70049142) is (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine is CC(C)C(CN)CC1NCCO1.
What is the InChIKey of (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine?
The InChIKey is DLDITPCAACCAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)8(6-10)5-9-11-3-4-12-9/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine?
(2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(1,3-oxazolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 70049142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).