(3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine

C9H20N2O2 — CID 11298418

IUPAC(3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine
SMILESCOCCN[C@H]1COC[C@@H]1N(C)C
InChIInChI=1S/C9H20N2O2/c1-11(2)9-7-13-6-8(9)10-4-5-12-3/h8-10H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyIVAQKWANYRESKJ-IUCAKERBSA-N
MW188.27 g/mol
LogP-0.45
Rot. Bonds5

About (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine

(3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine (PubChem CID 11298418) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine
PubChem CID11298418
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine
SMILESCOCCN[C@H]1COC[C@@H]1N(C)C
InChIInChI=1S/C9H20N2O2/c1-11(2)9-7-13-6-8(9)10-4-5-12-3/h8-10H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyIVAQKWANYRESKJ-IUCAKERBSA-N
XLogP-0.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-N-cyclopropyl-3-N,3-N-dimethyloxolane-3,4-diamine
CID 11147978
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 66256012
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
CID 170532830
CID 170532830
(3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide
CID 59072537
3-N-(2-methoxyethyl)-1-N,1-N-dimethylpyrrolidine-1,3-diamine
CID 123149475
4-[(2-methoxyethylamino)methyl]oxolan-3-amine
CID 66236121
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
N'-(4-methoxyoxolan-3-yl)-N'-methylmethanediamine
CID 177342052

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine?
The IUPAC name of (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine (CID 11298418) is (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine.
What is the SMILES notation for (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine?
The canonical SMILES for (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine is COCCN[C@H]1COC[C@@H]1N(C)C.
What is the InChIKey of (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine?
The InChIKey is IVAQKWANYRESKJ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-11(2)9-7-13-6-8(9)10-4-5-12-3/h8-10H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine?
(3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine has a molecular weight of 188.27 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-N-(2-methoxyethyl)-3-N,3-N-dimethyloxolane-3,4-diamine is sourced from PubChem (CID 11298418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).