(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine

C18H35NO2 — CID 67674235

IUPAC(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine
SMILESCCCCCCCCCC=C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1N
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-9-10-11-12-13-16-17(19)18(20-3)15(2)14-21-16/h12-13,15-18H,4-11,14,19H2,1-3H3/t15-,16-,17-,18-/m0/s1
InChIKeyFAODVSZZIABVJT-XSLAGTTESA-N
MW297.48 g/mol
LogP4.06
Rot. Bonds10

About (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine

(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine (PubChem CID 67674235) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine.

Molecular Properties

Compound Name(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine
PubChem CID67674235
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine
SMILESCCCCCCCCCC=C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1N
InChIInChI=1S/C18H35NO2/c1-4-5-6-7-8-9-10-11-12-13-16-17(19)18(20-3)15(2)14-21-16/h12-13,15-18H,4-11,14,19H2,1-3H3/t15-,16-,17-,18-/m0/s1
InChIKeyFAODVSZZIABVJT-XSLAGTTESA-N
XLogP4.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-amine
CID 67672310
(2S,3R,4R,5R)-5-butoxy-4-methoxy-2-non-1-enyloxan-3-amine
CID 67672410
[(2S,3R,4S,5S)-2-[(E)-dec-1-enyl]-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67673864
[(2R,3R,4R,5S)-2-dec-1-enyl-4-methoxy-5-methyloxan-3-yl] 2-aminoacetate
CID 67879762
(2S,3R,4S,5S)-4-[(E)-dec-1-enyl]-2-methoxy-5-methyloxan-3-ol
CID 67805624
(3S,4S,5S,8S)-8-[(E)-hept-1-enyl]-4-methoxy-5-methyl-1,7-dioxaspiro[2.5]octane
CID 22855992
[(2S,3R,4S,5R)-5-ethoxy-4-methoxy-2-non-1-enyloxan-3-yl] 2-aminoacetate
CID 67803869
5-amino-4-[(E)-pentadec-1-enyl]-1,3-dioxan-2-one
CID 18996041
2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
(2S,3R,4R,5S)-4-methoxy-5-methyl-2-nonyloxan-3-ol
CID 57068245
2-(heptoxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699711
[(6S,7S,10S)-10-methyl-7-non-1-enyl-1,4,8-trioxaspiro[4.5]decan-6-yl] 2-aminoacetate
CID 67673523

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine?
The IUPAC name of (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine (CID 67674235) is (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine.
What is the SMILES notation for (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine?
The canonical SMILES for (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine is CCCCCCCCCC=C[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1N.
What is the InChIKey of (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine?
The InChIKey is FAODVSZZIABVJT-XSLAGTTESA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-5-6-7-8-9-10-11-12-13-16-17(19)18(20-3)15(2)14-21-16/h12-13,15-18H,4-11,14,19H2,1-3H3/t15-,16-,17-,18-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine?
(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine has a molecular weight of 297.48 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine is sourced from PubChem (CID 67674235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).