(1R)-1-[(3S)-oxan-3-yl]propan-1-amine

C8H17NO — CID 96636720

IUPAC(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
SMILESCC[C@@H](N)[C@@H]1CCCOC1
InChIInChI=1S/C8H17NO/c1-2-8(9)7-4-3-5-10-6-7/h7-8H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyXFYWIPJNKYITCL-HTQZYQBOSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds2

About (1R)-1-[(3S)-oxan-3-yl]propan-1-amine

(1R)-1-[(3S)-oxan-3-yl]propan-1-amine (PubChem CID 96636720) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1R)-1-[(3S)-oxan-3-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
PubChem CID96636720
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
SMILESCC[C@@H](N)[C@@H]1CCCOC1
InChIInChI=1S/C8H17NO/c1-2-8(9)7-4-3-5-10-6-7/h7-8H,2-6,9H2,1H3/t7-,8-/m1/s1
InChIKeyXFYWIPJNKYITCL-HTQZYQBOSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699
3-pentan-3-yloxane
CID 15620798
1-(oxan-3-yl)heptan-1-amine
CID 65331908
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
bis(oxan-3-yl)methanamine
CID 107136437
CID 59269410
CID 59269410
3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107139106
4-amino-4-(oxan-3-yl)butanoic acid
CID 82602426
1-(oxolan-3-yl)butan-1-amine
CID 63564938
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S)-oxan-3-yl]propan-1-amine?
The IUPAC name of (1R)-1-[(3S)-oxan-3-yl]propan-1-amine (CID 96636720) is (1R)-1-[(3S)-oxan-3-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[(3S)-oxan-3-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[(3S)-oxan-3-yl]propan-1-amine is CC[C@@H](N)[C@@H]1CCCOC1.
What is the InChIKey of (1R)-1-[(3S)-oxan-3-yl]propan-1-amine?
The InChIKey is XFYWIPJNKYITCL-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-8(9)7-4-3-5-10-6-7/h7-8H,2-6,9H2,1H3/t7-,8-/m1/s1.
What are the key properties of (1R)-1-[(3S)-oxan-3-yl]propan-1-amine?
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S)-oxan-3-yl]propan-1-amine is sourced from PubChem (CID 96636720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).