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

C12H26N2O3 — CID 70799041

IUPAC(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol
SMILESCC(C)O[C@@H]1OC(CN)[C@H](C(C)C)C(O)[C@@H]1N
InChIInChI=1S/C12H26N2O3/c1-6(2)9-8(5-13)17-12(16-7(3)4)10(14)11(9)15/h6-12,15H,5,13-14H2,1-4H3/t8?,9-,10-,11?,12+/m0/s1
InChIKeyDUUGPQJRHBAQKN-MUVKAJBYSA-N
MW246.35 g/mol
LogP0.06
Rot. Bonds4

About (3R,5S,6R)-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 (PubChem CID 70799041) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is (3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol.

Molecular Properties

Compound Name(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol
PubChem CID70799041
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name(3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol
SMILESCC(C)O[C@@H]1OC(CN)[C@H](C(C)C)C(O)[C@@H]1N
InChIInChI=1S/C12H26N2O3/c1-6(2)9-8(5-13)17-12(16-7(3)4)10(14)11(9)15/h6-12,15H,5,13-14H2,1-4H3/t8?,9-,10-,11?,12+/m0/s1
InChIKeyDUUGPQJRHBAQKN-MUVKAJBYSA-N
XLogP0.06
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-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

(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
(2S,3S,5S)-4-amino-6-(aminomethyl)-5-propan-2-yl-2-propan-2-yloxyoxan-3-ol
CID 70799033
(3S,6S)-5-amino-2-(aminomethyl)-3-methyl-6-propan-2-yloxyoxan-4-ol
CID 70809283
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
CID 140856132
(2S)-5-amino-2-(aminomethyl)-6-[(2R,5S)-4-hydroxy-2-(hydroxymethyl)-5-propan-2-yloxolan-3-yl]oxyoxane-3,4-diol
CID 174021220
5-amino-2-(aminomethyl)-6-(3,5-diamino-6,6-dihydroxyhexan-2-yl)oxyoxane-3,4-diol
CID 142836643
6-(hydroxymethyl)-5-methyl-2-propan-2-yloxyoxane-3,4-diol
CID 76593810
(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
3-amino-2,5-di(propan-2-yl)-6-(propoxymethyl)oxan-4-ol
CID 139493099

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol?
The IUPAC name of (3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol (CID 70799041) is (3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol.
What is the SMILES notation for (3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol?
The canonical SMILES for (3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol is CC(C)O[C@@H]1OC(CN)[C@H](C(C)C)C(O)[C@@H]1N.
What is the InChIKey of (3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol?
The InChIKey is DUUGPQJRHBAQKN-MUVKAJBYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-6(2)9-8(5-13)17-12(16-7(3)4)10(14)11(9)15/h6-12,15H,5,13-14H2,1-4H3/t8?,9-,10-,11?,12+/m0/s1.
What are the key properties of (3R,5S,6R)-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 has a molecular weight of 246.35 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R)-5-amino-2-(aminomethyl)-3-propan-2-yl-6-propan-2-yloxyoxan-4-ol is sourced from PubChem (CID 70799041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).