[3-(3-methoxypropyl)oxolan-3-yl]methanamine

C9H19NO2 — CID 62725114

IUPAC[3-(3-methoxypropyl)oxolan-3-yl]methanamine
SMILESCOCCCC1(CN)CCOC1
InChIInChI=1S/C9H19NO2/c1-11-5-2-3-9(7-10)4-6-12-8-9/h2-8,10H2,1H3
InChIKeyPSCXRHMMMNLELO-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.78
Rot. Bonds5

About [3-(3-methoxypropyl)oxolan-3-yl]methanamine

[3-(3-methoxypropyl)oxolan-3-yl]methanamine (PubChem CID 62725114) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [3-(3-methoxypropyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxypropyl)oxolan-3-yl]methanamine
PubChem CID62725114
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[3-(3-methoxypropyl)oxolan-3-yl]methanamine
SMILESCOCCCC1(CN)CCOC1
InChIInChI=1S/C9H19NO2/c1-11-5-2-3-9(7-10)4-6-12-8-9/h2-8,10H2,1H3
InChIKeyPSCXRHMMMNLELO-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.78
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

[3-[3-(2,2,2-Trifluoroethoxy)propyl]oxolan-3-yl]methanamine
CID 62725716
[3-(3-Fluoropropyl)oxolan-3-yl]methanamine
CID 130514922
5-(2,2-Dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine
CID 123361482
5-(2,2-Dimethylpropoxy)-2,2-diethyl-1-methoxypentan-1-amine
CID 123361482
3-(3-Propyloxolan-3-yl)propan-1-amine
CID 166926382
3-(3-Propyloxolan-3-yl)propan-1-amine
CID 166926382
N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62717888
N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]propan-1-amine
CID 62717870
N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine
CID 62718661
N-[[3-(3-methoxypropyl)oxolan-3-yl]methyl]ethanamine
CID 62718661
1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine
CID 62720086
1-[3-(3-methoxypropyl)oxolan-3-yl]-N-methylmethanamine
CID 62720086

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypropyl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(3-methoxypropyl)oxolan-3-yl]methanamine (CID 62725114) is [3-(3-methoxypropyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-methoxypropyl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(3-methoxypropyl)oxolan-3-yl]methanamine is COCCCC1(CN)CCOC1.
What is the InChIKey of [3-(3-methoxypropyl)oxolan-3-yl]methanamine?
The InChIKey is PSCXRHMMMNLELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-5-2-3-9(7-10)4-6-12-8-9/h2-8,10H2,1H3.
What are the key properties of [3-(3-methoxypropyl)oxolan-3-yl]methanamine?
[3-(3-methoxypropyl)oxolan-3-yl]methanamine has a molecular weight of 173.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 62725114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).