2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C10H19NO2 — CID 65419438

IUPAC2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOCCCC1(N)CC2CCC1O2
InChIInChI=1S/C10H19NO2/c1-12-6-2-5-10(11)7-8-3-4-9(10)13-8/h8-9H,2-7,11H2,1H3
InChIKeyWOAUPXDFOPYNFR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.06
Rot. Bonds4

About 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine

2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 65419438) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID65419438
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOCCCC1(N)CC2CCC1O2
InChIInChI=1S/C10H19NO2/c1-12-6-2-5-10(11)7-8-3-4-9(10)13-8/h8-9H,2-7,11H2,1H3
InChIKeyWOAUPXDFOPYNFR-UHFFFAOYSA-N
XLogP1.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.06
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-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103184905
2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65422682
2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103142389
3-(3-methoxypropyl)-2-methyloxolan-3-amine
CID 114535363
7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine
CID 79331705
2-cyclopropyl-3-(4-methoxybutyl)oxolan-3-amine
CID 104650505
(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol
CID 11550281
2-(methoxymethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 126977342
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine
CID 83907092
(2-octyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 65394473
1-[1-(3-methoxypropyl)cyclopropyl]ethanamine
CID 106797370
(2-carboxy-7-oxabicyclo[2.2.1]heptan-2-yl)-[2-(2-carboxy-7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]-ethyl-(2-methoxyethyl)azanium
CID 91386154

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 65419438) is 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine is COCCCC1(N)CC2CCC1O2.
What is the InChIKey of 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is WOAUPXDFOPYNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-12-6-2-5-10(11)7-8-3-4-9(10)13-8/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 185.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65419438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).