3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol

C14H30N4O4 — CID 3056186

IUPAC3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
SMILESCNC1C(OC)CC(N)C(OC2OC(CN)CCC2N)C1O
InChIInChI=1S/C14H30N4O4/c1-18-11-10(20-2)5-9(17)13(12(11)19)22-14-8(16)4-3-7(6-15)21-14/h7-14,18-19H,3-6,15-17H2,1-2H3
InChIKeyLVWCJJGPEHPHJN-UHFFFAOYSA-N
MW318.42 g/mol
LogP-2.14
Rot. Bonds5

About 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol

3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol (PubChem CID 3056186) has the molecular formula C14H30N4O4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
PubChem CID3056186
Molecular FormulaC14H30N4O4
Molecular Weight318.42 g/mol
Exact Mass318.23
IUPAC Name3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
SMILESCNC1C(OC)CC(N)C(OC2OC(CN)CCC2N)C1O
InChIInChI=1S/C14H30N4O4/c1-18-11-10(20-2)5-9(17)13(12(11)19)22-14-8(16)4-3-7(6-15)21-14/h7-14,18-19H,3-6,15-17H2,1-2H3
InChIKeyLVWCJJGPEHPHJN-UHFFFAOYSA-N
XLogP-2.14
TPSA138.01 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(1R,2R,3R,5S,6S)-3-amino-2-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
CID 13019101
(1S,2S,3R,5S,6S)-3-amino-2-[(2R,3R,6R)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
CID 162879962
2-amino-N-[(1S,2R,3S,4R)-4-amino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide
CID 101285690
6-(aminomethyl)-2-(4,6-diamino-2-hydroxy-3-methoxycyclohexyl)oxyoxan-3-ol
CID 166506840
6-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol
CID 3055299
(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(2-aminopropyl)oxan-2-yl]oxy-2-(methylamino)cyclohexane-1,3-diol
CID 163114577
(2S,3S,4S,5S)-2-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3S,6R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 12799065
N-[(2S,3R,6S)-2-[(1R,2R,3R,4R,6S)-6-amino-2-hydroxy-4-methoxy-3-(methylamino)cyclohexyl]oxy-6-(methylaminomethyl)oxan-3-yl]-2-formamidoacetamide
CID 162851895
(2S,3R,4R,5S)-2-[(1S,2R,3R,4R,6S)-6-amino-3-[(2R,3S,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxy-4-(methylamino)cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 162993692
2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-iodocyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 163054840
(1S,2S,3R,4R,6R)-6-amino-4-methoxy-3-(methylamino)cyclohexane-1,2-diol
CID 129322048
2-[4-amino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-(ethylamino)-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
CID 72671465

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol?
The IUPAC name of 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol (CID 3056186) is 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol?
The canonical SMILES for 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol is CNC1C(OC)CC(N)C(OC2OC(CN)CCC2N)C1O.
What is the InChIKey of 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol?
The InChIKey is LVWCJJGPEHPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O4/c1-18-11-10(20-2)5-9(17)13(12(11)19)22-14-8(16)4-3-7(6-15)21-14/h7-14,18-19H,3-6,15-17H2,1-2H3.
What are the key properties of 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol?
3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol has a molecular weight of 318.42 g/mol, XLogP of -2.14, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 3056186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).