(1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine

C8H13NO — CID 124573145

IUPAC(1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine
SMILESC#C[C@@H](N)[C@@H]1CCCCO1
InChIInChI=1S/C8H13NO/c1-2-7(9)8-5-3-4-6-10-8/h1,7-8H,3-6,9H2/t7-,8+/m1/s1
InChIKeyJCBSSBZAQMJQCB-SFYZADRCSA-N
MW139.20 g/mol
LogP0.52
Rot. Bonds1

About (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine

(1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine (PubChem CID 124573145) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name(1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine
PubChem CID124573145
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine
SMILESC#C[C@@H](N)[C@@H]1CCCCO1
InChIInChI=1S/C8H13NO/c1-2-7(9)8-5-3-4-6-10-8/h1,7-8H,3-6,9H2/t7-,8+/m1/s1
InChIKeyJCBSSBZAQMJQCB-SFYZADRCSA-N
XLogP0.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol
CID 130563392
bis(oxan-2-yl)methanol
CID 173021788
[(1S)-1-[(2S)-oxan-2-yl]prop-2-ynyl] acetate
CID 10797506
3-methyl-1-(oxan-2-yl)but-2-en-1-amine
CID 105004859
2-(dimethoxymethyl)oxane
CID 101048405
[1-(aminomethyl)cyclopropyl]-(oxan-2-yl)methanol
CID 165448247
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870
[(1S)-1-[(2S)-oxan-2-yl]ethyl] thiocyanate
CID 139548368
(S)-cyclobutyl-[(2S)-oxolan-2-yl]methanamine
CID 124596085
2-methyl-1-(oxan-2-yl)pentan-1-amine
CID 107893762
1-[1-(oxan-2-yl)ethyl]cyclopropan-1-amine
CID 84765664
[cycloheptyl(oxan-2-yl)methyl]hydrazine
CID 105330645

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine?
The IUPAC name of (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine (CID 124573145) is (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine.
What is the SMILES notation for (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine?
The canonical SMILES for (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine is C#C[C@@H](N)[C@@H]1CCCCO1.
What is the InChIKey of (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine?
The InChIKey is JCBSSBZAQMJQCB-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-7(9)8-5-3-4-6-10-8/h1,7-8H,3-6,9H2/t7-,8+/m1/s1.
What are the key properties of (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine?
(1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine is sourced from PubChem (CID 124573145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).