(1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine

C9H19NO — CID 126586486

IUPAC(1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine
SMILES[3H][C@H]1C[C@H](C)[C@@H]([C@H](N)CCC)O1
InChIInChI=1S/C9H19NO/c1-3-4-8(10)9-7(2)5-6-11-9/h7-9H,3-6,10H2,1-2H3/t7-,8+,9-/m0/s1/i6T/t6-,7-,8+,9-
InChIKeyYKTVDKUGUNDXAJ-UNRMIZFSSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds3

About (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine

(1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine (PubChem CID 126586486) has the molecular formula C9H19NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine.

Molecular Properties

Compound Name(1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine
PubChem CID126586486
Molecular FormulaC9H19NO
Molecular Weight159.27 g/mol
Exact Mass159.15
IUPAC Name(1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine
SMILES[3H][C@H]1C[C@H](C)[C@@H]([C@H](N)CCC)O1
InChIInChI=1S/C9H19NO/c1-3-4-8(10)9-7(2)5-6-11-9/h7-9H,3-6,10H2,1-2H3/t7-,8+,9-/m0/s1/i6T/t6-,7-,8+,9-
InChIKeyYKTVDKUGUNDXAJ-UNRMIZFSSA-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 ≤ 500159.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine?
The IUPAC name of (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine (CID 126586486) is (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine.
What is the SMILES notation for (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine?
The canonical SMILES for (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine is [3H][C@H]1C[C@H](C)[C@@H]([C@H](N)CCC)O1.
What is the InChIKey of (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine?
The InChIKey is YKTVDKUGUNDXAJ-UNRMIZFSSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-8(10)9-7(2)5-6-11-9/h7-9H,3-6,10H2,1-2H3/t7-,8+,9-/m0/s1/i6T/t6-,7-,8+,9-.
What are the key properties of (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine?
(1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine has a molecular weight of 159.27 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 (1R)-1-[(2S,3S,5S)-3-methyl-5-tritiooxolan-2-yl]butan-1-amine is sourced from PubChem (CID 126586486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).