N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine

C10H19NO3 — CID 131181570

IUPACN-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine
SMILESCO[C@H]1COC[C@@H]1NC1CCCOC1
InChIInChI=1S/C10H19NO3/c1-12-10-7-14-6-9(10)11-8-3-2-4-13-5-8/h8-11H,2-7H2,1H3/t8?,9-,10-/m0/s1
InChIKeyQMRFIBMSCBLZJW-AGROOBSYSA-N
MW201.27 g/mol
LogP0.17
Rot. Bonds3

About N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine

N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine (PubChem CID 131181570) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine.

Molecular Properties

Compound NameN-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine
PubChem CID131181570
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine
SMILESCO[C@H]1COC[C@@H]1NC1CCCOC1
InChIInChI=1S/C10H19NO3/c1-12-10-7-14-6-9(10)11-8-3-2-4-13-5-8/h8-11H,2-7H2,1H3/t8?,9-,10-/m0/s1
InChIKeyQMRFIBMSCBLZJW-AGROOBSYSA-N
XLogP0.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxycyclohexyl)oxolan-3-amine
CID 80717087
N-(3-methoxycyclopentyl)oxan-3-amine
CID 103082989
N-cycloheptyloxan-3-amine
CID 63359772
(3R)-N-methyloxan-3-amine
CID 58327948
(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine
CID 130778573
(3S,4R)-4-methoxy-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 141386384
N-[(3aR,5S,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-5-yl]-3-methoxyoxan-4-amine
CID 141394628
N-(4-ethylcyclohexyl)oxan-3-amine
CID 63359861
(3R,4R)-4-methoxy-N-methyloxan-3-amine;hydrochloride
CID 178190292
N-cyclopentyloxolan-3-amine
CID 63331713
N-(2-methoxycyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895178
(2S)-2-hydroxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide
CID 130758102

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine?
The IUPAC name of N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine (CID 131181570) is N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine.
What is the SMILES notation for N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine?
The canonical SMILES for N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine is CO[C@H]1COC[C@@H]1NC1CCCOC1.
What is the InChIKey of N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine?
The InChIKey is QMRFIBMSCBLZJW-AGROOBSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-12-10-7-14-6-9(10)11-8-3-2-4-13-5-8/h8-11H,2-7H2,1H3/t8?,9-,10-/m0/s1.
What are the key properties of N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine?
N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine has a molecular weight of 201.27 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methoxyoxolan-3-yl]oxan-3-amine is sourced from PubChem (CID 131181570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).