2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine

C11H21NO2 — CID 103580752

IUPAC2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine
SMILESCOCCCNC1CCOC1C1CC1
InChIInChI=1S/C11H21NO2/c1-13-7-2-6-12-10-5-8-14-11(10)9-3-4-9/h9-12H,2-8H2,1H3
InChIKeyDMADLNQJNQMWBJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.18
Rot. Bonds6

About 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine

2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine (PubChem CID 103580752) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine
PubChem CID103580752
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine
SMILESCOCCCNC1CCOC1C1CC1
InChIInChI=1S/C11H21NO2/c1-13-7-2-6-12-10-5-8-14-11(10)9-3-4-9/h9-12H,2-8H2,1H3
InChIKeyDMADLNQJNQMWBJ-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.18
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 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine (CID 103580752) is 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine is COCCCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine?
The InChIKey is DMADLNQJNQMWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-13-7-2-6-12-10-5-8-14-11(10)9-3-4-9/h9-12H,2-8H2,1H3.
What are the key properties of 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine?
2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine has a molecular weight of 199.29 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-methoxypropyl)oxolan-3-amine is sourced from PubChem (CID 103580752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).