2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine

C9H19NO — CID 919149

IUPAC2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(C)C[C@H](CCN)CCO1
InChIInChI=1S/C9H19NO/c1-9(2)7-8(3-5-10)4-6-11-9/h8H,3-7,10H2,1-2H3/t8-/m1/s1
InChIKeyYNLARGKXFPRJJK-MRVPVSSYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds2

About 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine

2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine (PubChem CID 919149) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine
PubChem CID919149
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(C)C[C@H](CCN)CCO1
InChIInChI=1S/C9H19NO/c1-9(2)7-8(3-5-10)4-6-11-9/h8H,3-7,10H2,1-2H3/t8-/m1/s1
InChIKeyYNLARGKXFPRJJK-MRVPVSSYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine?
The IUPAC name of 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine (CID 919149) is 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine.
What is the SMILES notation for 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine?
The canonical SMILES for 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine is CC1(C)C[C@H](CCN)CCO1.
What is the InChIKey of 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine?
The InChIKey is YNLARGKXFPRJJK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)7-8(3-5-10)4-6-11-9/h8H,3-7,10H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine?
2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyloxan-4-yl]ethanamine is sourced from PubChem (CID 919149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).