1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine

C10H21NO2 — CID 62720086

IUPAC1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CCCOC)CCOC1
InChIInChI=1S/C10H21NO2/c1-11-8-10(4-3-6-12-2)5-7-13-9-10/h11H,3-9H2,1-2H3
InChIKeyKIJIZIOXNIEGEH-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds6

About 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine

1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine (PubChem CID 62720086) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine
PubChem CID62720086
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CCCOC)CCOC1
InChIInChI=1S/C10H21NO2/c1-11-8-10(4-3-6-12-2)5-7-13-9-10/h11H,3-9H2,1-2H3
InChIKeyKIJIZIOXNIEGEH-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine (CID 62720086) is 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine is CNCC1(CCCOC)CCOC1.
What is the InChIKey of 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine?
The InChIKey is KIJIZIOXNIEGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-11-8-10(4-3-6-12-2)5-7-13-9-10/h11H,3-9H2,1-2H3.
What are the key properties of 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine?
1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine has a molecular weight of 187.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62720086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).