(6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine

C8H18N2O3 — CID 11977040

IUPAC(6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine
SMILESCOCOC[C@@H]1CC(N)C(N)CO1
InChIInChI=1S/C8H18N2O3/c1-11-5-12-3-6-2-7(9)8(10)4-13-6/h6-8H,2-5,9-10H2,1H3/t6-,7?,8?/m0/s1
InChIKeyNVQCALFUAPYCFZ-KKMMWDRVSA-N
MW190.24 g/mol
LogP-0.95
Rot. Bonds4

About (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine

(6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine (PubChem CID 11977040) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine.

Molecular Properties

Compound Name(6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine
PubChem CID11977040
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine
SMILESCOCOC[C@@H]1CC(N)C(N)CO1
InChIInChI=1S/C8H18N2O3/c1-11-5-12-3-6-2-7(9)8(10)4-13-6/h6-8H,2-5,9-10H2,1H3/t6-,7?,8?/m0/s1
InChIKeyNVQCALFUAPYCFZ-KKMMWDRVSA-N
XLogP-0.95
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 59928139
(3S,4S,5R,6S)-5,6-diethoxyoxane-3,4-diamine
CID 67893389
(2R,5S)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 91321517
(3S,4R,5R,6R)-4,5-bis(methoxymethoxy)-6-(methoxymethoxymethyl)oxan-3-amine
CID 166479996
(3R,4S,5R,6S)-6-(methoxymethoxymethyl)-4,5-dimethyloxan-3-amine
CID 170093807
2-(Methoxymethoxymethyl)oxan-3-amine
CID 175842955
(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804009
(3R,4R,5S,6R)-2,4,5-triethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804010
(3R,4R,5S,6R)-6-(ethoxymethyl)-2,4,5-trimethoxyoxan-3-amine
CID 24804013
(3R,4R,5S,6R)-4-ethoxy-6-(ethoxymethyl)-2,5-dimethoxyoxan-3-amine
CID 24804014
(3R,4R,5S,6R)-4,5-diethoxy-6-(ethoxymethyl)-2-methoxyoxan-3-amine
CID 24804178
(3R,4R,5S,6R)-2,4,5-triethoxy-6-(ethoxymethyl)oxan-3-amine
CID 24804179

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine?
The IUPAC name of (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine (CID 11977040) is (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine.
What is the SMILES notation for (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine?
The canonical SMILES for (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine is COCOC[C@@H]1CC(N)C(N)CO1.
What is the InChIKey of (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine?
The InChIKey is NVQCALFUAPYCFZ-KKMMWDRVSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-11-5-12-3-6-2-7(9)8(10)4-13-6/h6-8H,2-5,9-10H2,1H3/t6-,7?,8?/m0/s1.
What are the key properties of (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine?
(6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine has a molecular weight of 190.24 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine is sourced from PubChem (CID 11977040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).