(2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol

C15H33NO3 — CID 142045829

IUPAC(2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol
SMILESCCC[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC
InChIInChI=1S/C15H33NO3/c1-7-9-11(3)10-16-12(4)14(17)15(5,18)13(8-2)19-6/h11-14,16-18H,7-10H2,1-6H3/t11-,12-,13-,14-,15-/m1/s1
InChIKeyGYENYYMJCHFBBV-KJWHEZOQSA-N
MW275.43 g/mol
LogP1.94
Rot. Bonds10

About (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol

(2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol (PubChem CID 142045829) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol
PubChem CID142045829
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name(2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol
SMILESCCC[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC
InChIInChI=1S/C15H33NO3/c1-7-9-11(3)10-16-12(4)14(17)15(5,18)13(8-2)19-6/h11-14,16-18H,7-10H2,1-6H3/t11-,12-,13-,14-,15-/m1/s1
InChIKeyGYENYYMJCHFBBV-KJWHEZOQSA-N
XLogP1.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol with MolForge

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Related Compounds

1-Ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol
CID 59264316
4-[[4-(Aminomethyl)cyclohexyl]-(2-hydroxy-3-methoxypropyl)amino]butane-1,3-diol
CID 68048423
(2S,3S,4R,5R)-5-methyl-1-(methylamino)heptane-2,3,4-triol
CID 89221609
3-(Diethylaminomethyl)-1-(propan-2-ylamino)heptane-3,4-diol
CID 91055983
5-[2-Hydroxy-3-(4-methylhexan-2-ylamino)propoxy]pentan-1-ol
CID 91430650
(1S,2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-ol
CID 118053390
2-(Ethylaminomethyl)-4-methoxy-4-methylhexane-1,2-diol
CID 123378505
3-(Methylamino)-1-(2,3,5-trimethylhexan-2-yloxy)butan-2-ol
CID 123789565
1-(3-Methylbutylamino)hexane-2,3,4-triol
CID 124082555
(2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol
CID 130443589
5-Methyl-2-(methylamino)heptane-3,5-diol
CID 132148928
5-Methyl-1-(propan-2-ylamino)heptane-2,3-diol
CID 141542667

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol (CID 142045829) is (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol is CCC[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC.
What is the InChIKey of (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol?
The InChIKey is GYENYYMJCHFBBV-KJWHEZOQSA-N. The full InChI is InChI=1S/C15H33NO3/c1-7-9-11(3)10-16-12(4)14(17)15(5,18)13(8-2)19-6/h11-14,16-18H,7-10H2,1-6H3/t11-,12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol?
(2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol has a molecular weight of 275.43 g/mol, XLogP of 1.94, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-methoxy-4-methyl-2-[[(2R)-2-methylpentyl]amino]heptane-3,4-diol is sourced from PubChem (CID 142045829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).