(2R)-1-[(3R)-oxan-3-yl]butan-2-amine

C9H19NO — CID 58017423

IUPAC(2R)-1-[(3R)-oxan-3-yl]butan-2-amine
SMILESCC[C@@H](N)C[C@H]1CCCOC1
InChIInChI=1S/C9H19NO/c1-2-9(10)6-8-4-3-5-11-7-8/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyHNZRKQYMVWAVJH-RKDXNWHRSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds3

About (2R)-1-[(3R)-oxan-3-yl]butan-2-amine

(2R)-1-[(3R)-oxan-3-yl]butan-2-amine (PubChem CID 58017423) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R)-1-[(3R)-oxan-3-yl]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(3R)-oxan-3-yl]butan-2-amine
PubChem CID58017423
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R)-1-[(3R)-oxan-3-yl]butan-2-amine
SMILESCC[C@@H](N)C[C@H]1CCCOC1
InChIInChI=1S/C9H19NO/c1-2-9(10)6-8-4-3-5-11-7-8/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyHNZRKQYMVWAVJH-RKDXNWHRSA-N
XLogP1.54
TPSA35.25 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3R)-oxan-3-yl]butan-2-amine?
The IUPAC name of (2R)-1-[(3R)-oxan-3-yl]butan-2-amine (CID 58017423) is (2R)-1-[(3R)-oxan-3-yl]butan-2-amine.
What is the SMILES notation for (2R)-1-[(3R)-oxan-3-yl]butan-2-amine?
The canonical SMILES for (2R)-1-[(3R)-oxan-3-yl]butan-2-amine is CC[C@@H](N)C[C@H]1CCCOC1.
What is the InChIKey of (2R)-1-[(3R)-oxan-3-yl]butan-2-amine?
The InChIKey is HNZRKQYMVWAVJH-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-9(10)6-8-4-3-5-11-7-8/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1.
What are the key properties of (2R)-1-[(3R)-oxan-3-yl]butan-2-amine?
(2R)-1-[(3R)-oxan-3-yl]butan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3R)-oxan-3-yl]butan-2-amine is sourced from PubChem (CID 58017423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).