(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine

C19H37NO3 — CID 67672410

IUPAC(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine
SMILESCCCCCCCC=C[C@@H]1OC[C@@H](OCCCC)[C@H](OC)[C@@H]1N
InChIInChI=1S/C19H37NO3/c1-4-6-8-9-10-11-12-13-16-18(20)19(21-3)17(15-23-16)22-14-7-5-2/h12-13,16-19H,4-11,14-15,20H2,1-3H3/t16-,17+,18+,19-/m0/s1
InChIKeyASURTHYSHMANQC-MANSERQUSA-N
MW327.51 g/mol
LogP3.83
Rot. Bonds12

About (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine

(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine (PubChem CID 67672410) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine.

Molecular Properties

Compound Name(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine
PubChem CID67672410
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine
SMILESCCCCCCCC=C[C@@H]1OC[C@@H](OCCCC)[C@H](OC)[C@@H]1N
InChIInChI=1S/C19H37NO3/c1-4-6-8-9-10-11-12-13-16-18(20)19(21-3)17(15-23-16)22-14-7-5-2/h12-13,16-19H,4-11,14-15,20H2,1-3H3/t16-,17+,18+,19-/m0/s1
InChIKeyASURTHYSHMANQC-MANSERQUSA-N
XLogP3.83
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-amine
CID 67672310
(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine
CID 67674235
[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate
CID 67803869
2-ethyl-3-methoxy-4-pentoxyoxolane
CID 148653277
[(2R,3R,4R,5S)-2-dec-1-enyl-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67879762
[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67673864
(3R)-3,4-bis(tetradec-9-enoxy)pyrrolidine
CID 123532636
(3R,4R)-3,4-bis[(9Z,12Z)-octadeca-9,12-dienoxy]pyrrolidine
CID 86699633
2-methoxy-3-pentoxycyclobutan-1-amine
CID 104674665
[(2S,3R,4S,5R)-4-methoxy-2-[(E)-non-1-enyl]-5-phenylmethoxyoxan-3-yl] 2-aminoacetate;2,2,2-trifluoroacetic acid
CID 22856016
1-methyl-3,4-bis(octadec-9-enoxy)pyrrolidine
CID 123370037
(3R)-1-methyl-3,4-bis(octadec-9-enoxy)pyrrolidine
CID 123409882

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine?
The IUPAC name of (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine (CID 67672410) is (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine.
What is the SMILES notation for (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine?
The canonical SMILES for (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine is CCCCCCCC=C[C@@H]1OC[C@@H](OCCCC)[C@H](OC)[C@@H]1N.
What is the InChIKey of (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine?
The InChIKey is ASURTHYSHMANQC-MANSERQUSA-N. The full InChI is InChI=1S/C19H37NO3/c1-4-6-8-9-10-11-12-13-16-18(20)19(21-3)17(15-23-16)22-14-7-5-2/h12-13,16-19H,4-11,14-15,20H2,1-3H3/t16-,17+,18+,19-/m0/s1.
What are the key properties of (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine?
(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine has a molecular weight of 327.51 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine is sourced from PubChem (CID 67672410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).