(3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol

C10H22N2O3 — CID 70809283

IUPAC(3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol
SMILESCC(C)O[C@H]1OC(CN)[C@@H](C)C(O)C1N
InChIInChI=1S/C10H22N2O3/c1-5(2)14-10-8(12)9(13)6(3)7(4-11)15-10/h5-10,13H,4,11-12H2,1-3H3/t6-,7?,8?,9?,10+/m1/s1
InChIKeyHZLRVHCSISBZAL-QFDKLFGYSA-N
MW218.30 g/mol
LogP-0.58
Rot. Bonds3

About (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol

(3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol (PubChem CID 70809283) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol.

Molecular Properties

Compound Name(3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol
PubChem CID70809283
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name(3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol
SMILESCC(C)O[C@H]1OC(CN)[C@@H](C)C(O)C1N
InChIInChI=1S/C10H22N2O3/c1-5(2)14-10-8(12)9(13)6(3)7(4-11)15-10/h5-10,13H,4,11-12H2,1-3H3/t6-,7?,8?,9?,10+/m1/s1
InChIKeyHZLRVHCSISBZAL-QFDKLFGYSA-N
XLogP-0.58
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol
CID 70799041
(2S,3R,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol;(3S,5R,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3S,5S,6S)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol;(2S,3R,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine;(2S,3S,5S)-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxane-3,4-diamine
CID 160683994
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
CID 140856132
(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol
CID 70799033
6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
CID 76593810
(3R,6R)-5-amino-2-ethyl-6-methoxy-3-methyloxan-4-ol
CID 163469681
5-amino-2-(aminomethyl)-6-(3,5-diamino-6,6-dihydroxyhexan-2-yl)oxyoxane-3,4-diol
CID 142836643
5-amino-2-(hydroxymethyl)-3-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 155117279
(2S)-5-amino-2-(aminomethyl)-6-[(2R,5S)-4-hydroxy-2-(hydroxymethyl)-5-propan-2-yloxolan-3-yl]oxyoxane-3,4-diol
CID 174021220
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
CID 54071256
(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol?
The IUPAC name of (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol (CID 70809283) is (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol.
What is the SMILES notation for (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol?
The canonical SMILES for (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol is CC(C)O[C@H]1OC(CN)[C@@H](C)C(O)C1N.
What is the InChIKey of (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol?
The InChIKey is HZLRVHCSISBZAL-QFDKLFGYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-5(2)14-10-8(12)9(13)6(3)7(4-11)15-10/h5-10,13H,4,11-12H2,1-3H3/t6-,7?,8?,9?,10+/m1/s1.
What are the key properties of (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol?
(3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol has a molecular weight of 218.30 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol is sourced from PubChem (CID 70809283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).