(2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine

C16H25NO2 — CID 13479351

IUPAC(2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine
SMILESC=CC[C@H](N[C@H](C)c1ccccc1)[C@H](C)OCOC
InChIInChI=1S/C16H25NO2/c1-5-9-16(14(3)19-12-18-4)17-13(2)15-10-7-6-8-11-15/h5-8,10-11,13-14,16-17H,1,9,12H2,2-4H3/t13-,14+,16+/m1/s1
InChIKeyHTDQAZBSFYEAHK-YCPHGPKFSA-N
MW263.38 g/mol
LogP3.29
Rot. Bonds9

About (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine

(2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine (PubChem CID 13479351) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine
PubChem CID13479351
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine
SMILESC=CC[C@H](N[C@H](C)c1ccccc1)[C@H](C)OCOC
InChIInChI=1S/C16H25NO2/c1-5-9-16(14(3)19-12-18-4)17-13(2)15-10-7-6-8-11-15/h5-8,10-11,13-14,16-17H,1,9,12H2,2-4H3/t13-,14+,16+/m1/s1
InChIKeyHTDQAZBSFYEAHK-YCPHGPKFSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine?
The IUPAC name of (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine (CID 13479351) is (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine.
What is the SMILES notation for (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine?
The canonical SMILES for (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine is C=CC[C@H](N[C@H](C)c1ccccc1)[C@H](C)OCOC.
What is the InChIKey of (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine?
The InChIKey is HTDQAZBSFYEAHK-YCPHGPKFSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-9-16(14(3)19-12-18-4)17-13(2)15-10-7-6-8-11-15/h5-8,10-11,13-14,16-17H,1,9,12H2,2-4H3/t13-,14+,16+/m1/s1.
What are the key properties of (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine?
(2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine has a molecular weight of 263.38 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]hex-5-en-3-amine is sourced from PubChem (CID 13479351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).