(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine

C9H19NO — CID 97358057

IUPAC(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
SMILESCC(C)CN[C@@H]1CCO[C@H]1C
InChIInChI=1S/C9H19NO/c1-7(2)6-10-9-4-5-11-8(9)3/h7-10H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeySAKNQMYNYAMDCH-DTWKUNHWSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds3

About (2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine

(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine (PubChem CID 97358057) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
PubChem CID97358057
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
SMILESCC(C)CN[C@@H]1CCO[C@H]1C
InChIInChI=1S/C9H19NO/c1-7(2)6-10-9-4-5-11-8(9)3/h7-10H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeySAKNQMYNYAMDCH-DTWKUNHWSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine?
The IUPAC name of (2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine (CID 97358057) is (2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine is CC(C)CN[C@@H]1CCO[C@H]1C.
What is the InChIKey of (2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine?
The InChIKey is SAKNQMYNYAMDCH-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)6-10-9-4-5-11-8(9)3/h7-10H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine?
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 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-(2-methylpropyl)oxolan-3-amine is sourced from PubChem (CID 97358057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).