(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine

C9H19NO2 — CID 97358081

IUPAC(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine
SMILESCOCCCN[C@@H]1CCO[C@H]1C
InChIInChI=1S/C9H19NO2/c1-8-9(4-7-12-8)10-5-3-6-11-2/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyNGQTVDALXYPUEX-DTWKUNHWSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds5

About (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine

(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine (PubChem CID 97358081) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine
PubChem CID97358081
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine
SMILESCOCCCN[C@@H]1CCO[C@H]1C
InChIInChI=1S/C9H19NO2/c1-8-9(4-7-12-8)10-5-3-6-11-2/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyNGQTVDALXYPUEX-DTWKUNHWSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-propoxypropyl)oxolan-3-amine
CID 82940328
(2R,3R)-N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
CID 124568299
N-(3-cyclohexyloxypropyl)-2-methyloxolan-3-amine
CID 113289548
(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
2-[[(2S,3S)-2-methyloxolan-3-yl]amino]ethanol
CID 99633545
2-methyl-N-propyloxolan-3-amine;hydrochloride
CID 146154013
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
N',N'-diethyl-N-[(2S,3S)-2-methyloxolan-3-yl]propane-1,3-diamine
CID 97358031
N-(2-cyclopentyloxyethyl)-2-methyloxolan-3-amine
CID 115336994
(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
N',N'-dimethyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82722831
trans-(1R,2R)-2-(3-methoxypropylamino)cyclobutan-1-ol
CID 131701462

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine?
The IUPAC name of (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine (CID 97358081) is (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine.
What is the SMILES notation for (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine?
The canonical SMILES for (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine is COCCCN[C@@H]1CCO[C@H]1C.
What is the InChIKey of (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine?
The InChIKey is NGQTVDALXYPUEX-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8-9(4-7-12-8)10-5-3-6-11-2/h8-10H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine?
(2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(3-methoxypropyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 97358081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).