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

C10H21NO — CID 58017427

IUPAC(2R)-1-[(3R)-oxan-3-yl]pentan-2-amine
SMILESCCC[C@@H](N)C[C@H]1CCCOC1
InChIInChI=1S/C10H21NO/c1-2-4-10(11)7-9-5-3-6-12-8-9/h9-10H,2-8,11H2,1H3/t9-,10-/m1/s1
InChIKeyMKAWYOZVMJNCOV-NXEZZACHSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

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

(2R)-1-[(3R)-oxan-3-yl]pentan-2-amine (PubChem CID 58017427) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R)-1-[(3R)-oxan-3-yl]pentan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(3R)-oxan-3-yl]pentan-2-amine
PubChem CID58017427
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R)-1-[(3R)-oxan-3-yl]pentan-2-amine
SMILESCCC[C@@H](N)C[C@H]1CCCOC1
InChIInChI=1S/C10H21NO/c1-2-4-10(11)7-9-5-3-6-12-8-9/h9-10H,2-8,11H2,1H3/t9-,10-/m1/s1
InChIKeyMKAWYOZVMJNCOV-NXEZZACHSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
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]pentan-2-amine?
The IUPAC name of (2R)-1-[(3R)-oxan-3-yl]pentan-2-amine (CID 58017427) is (2R)-1-[(3R)-oxan-3-yl]pentan-2-amine.
What is the SMILES notation for (2R)-1-[(3R)-oxan-3-yl]pentan-2-amine?
The canonical SMILES for (2R)-1-[(3R)-oxan-3-yl]pentan-2-amine is CCC[C@@H](N)C[C@H]1CCCOC1.
What is the InChIKey of (2R)-1-[(3R)-oxan-3-yl]pentan-2-amine?
The InChIKey is MKAWYOZVMJNCOV-NXEZZACHSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-4-10(11)7-9-5-3-6-12-8-9/h9-10H,2-8,11H2,1H3/t9-,10-/m1/s1.
What are the key properties of (2R)-1-[(3R)-oxan-3-yl]pentan-2-amine?
(2R)-1-[(3R)-oxan-3-yl]pentan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 4 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]pentan-2-amine is sourced from PubChem (CID 58017427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).