(2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride

C15H32Cl2N2O4 — CID 146118843

IUPAC(2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride
SMILESCCCN(C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCOCC1.Cl.Cl
InChIInChI=1S/C15H30N2O4.2ClH/c1-3-6-17(2)14-12(21-13(10-18)15(14)19)9-16-11-4-7-20-8-5-11;;/h11-16,18-19H,3-10H2,1-2H3;2*1H/t12-,13+,14+,15-;;/m1../s1
InChIKeyCXRCKYQFYYSAFM-MDKKGBSOSA-N
MW375.34 g/mol
LogP0.43
Rot. Bonds7

About (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride

(2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride (PubChem CID 146118843) has the molecular formula C15H32Cl2N2O4 and a molecular weight of 375.34 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride
PubChem CID146118843
Molecular FormulaC15H32Cl2N2O4
Molecular Weight375.34 g/mol
Exact Mass374.17
IUPAC Name(2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride
SMILESCCCN(C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCOCC1.Cl.Cl
InChIInChI=1S/C15H30N2O4.2ClH/c1-3-6-17(2)14-12(21-13(10-18)15(14)19)9-16-11-4-7-20-8-5-11;;/h11-16,18-19H,3-10H2,1-2H3;2*1H/t12-,13+,14+,15-;;/m1../s1
InChIKeyCXRCKYQFYYSAFM-MDKKGBSOSA-N
XLogP0.43
TPSA74.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride with MolForge

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Related Compounds

(2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride
CID 146118881
(2S,3S,4S,5R)-4-[benzyl(methyl)amino]-5-[(cyclohexylamino)methyl]-2-(hydroxymethyl)oxolan-3-ol;dihydrochloride
CID 146118932
(2S,3S,4S,5R)-5-[(cyclohexylamino)methyl]-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol
CID 162874255
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol;dihydrochloride
CID 146118858
(2S,3S,4R,5R)-2-(hydroxymethyl)-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride
CID 146118726
(2S,3S,4S,5R)-4-[benzyl(methyl)amino]-2-(hydroxymethyl)-5-[(propan-2-ylamino)methyl]oxolan-3-ol;dihydrochloride
CID 146118934
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide;hydrochloride
CID 146118861
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 74578308
2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-(4-piperidin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 163181564
(3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol
CID 126606531
N-[[(2R,3R,4S,5S)-3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]furan-2-carboxamide;dihydrochloride
CID 146118610
N-propyloxan-4-amine
CID 18348908

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride?
The IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride (CID 146118843) is (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride.
What is the SMILES notation for (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride?
The canonical SMILES for (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride is CCCN(C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCOCC1.Cl.Cl.
What is the InChIKey of (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride?
The InChIKey is CXRCKYQFYYSAFM-MDKKGBSOSA-N. The full InChI is InChI=1S/C15H30N2O4.2ClH/c1-3-6-17(2)14-12(21-13(10-18)15(14)19)9-16-11-4-7-20-8-5-11;;/h11-16,18-19H,3-10H2,1-2H3;2*1H/t12-,13+,14+,15-;;/m1../s1.
What are the key properties of (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride?
(2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride has a molecular weight of 375.34 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-[(oxan-4-ylamino)methyl]oxolan-3-ol;dihydrochloride is sourced from PubChem (CID 146118843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).