(4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine

C10H20N2O2 — CID 166655033

IUPAC(4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine
SMILESC=C[C@@H](NC[C@H]1COCC1NC)OC
InChIInChI=1S/C10H20N2O2/c1-4-10(13-3)12-5-8-6-14-7-9(8)11-2/h4,8-12H,1,5-7H2,2-3H3/t8-,9?,10-/m0/s1
InChIKeyRKOVNPIHOWTBFG-SMILAEQMSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds6

About (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine

(4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine (PubChem CID 166655033) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name(4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine
PubChem CID166655033
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine
SMILESC=C[C@@H](NC[C@H]1COCC1NC)OC
InChIInChI=1S/C10H20N2O2/c1-4-10(13-3)12-5-8-6-14-7-9(8)11-2/h4,8-12H,1,5-7H2,2-3H3/t8-,9?,10-/m0/s1
InChIKeyRKOVNPIHOWTBFG-SMILAEQMSA-N
XLogP-0.03
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine?
The IUPAC name of (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine (CID 166655033) is (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine is C=C[C@@H](NC[C@H]1COCC1NC)OC.
What is the InChIKey of (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine?
The InChIKey is RKOVNPIHOWTBFG-SMILAEQMSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-10(13-3)12-5-8-6-14-7-9(8)11-2/h4,8-12H,1,5-7H2,2-3H3/t8-,9?,10-/m0/s1.
What are the key properties of (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine?
(4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine has a molecular weight of 200.28 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[[(1S)-1-methoxyprop-2-enyl]amino]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 166655033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).