4-methoxy-3-(oxolan-3-yl)butan-1-amine

C9H19NO2 — CID 115014177

IUPAC4-methoxy-3-(oxolan-3-yl)butan-1-amine
SMILESCOCC(CCN)C1CCOC1
InChIInChI=1S/C9H19NO2/c1-11-6-8(2-4-10)9-3-5-12-7-9/h8-9H,2-7,10H2,1H3
InChIKeyXWSKISPECUJZNW-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.63
Rot. Bonds5

About 4-methoxy-3-(oxolan-3-yl)butan-1-amine

4-methoxy-3-(oxolan-3-yl)butan-1-amine (PubChem CID 115014177) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-methoxy-3-(oxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-(oxolan-3-yl)butan-1-amine
PubChem CID115014177
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-methoxy-3-(oxolan-3-yl)butan-1-amine
SMILESCOCC(CCN)C1CCOC1
InChIInChI=1S/C9H19NO2/c1-11-6-8(2-4-10)9-3-5-12-7-9/h8-9H,2-7,10H2,1H3
InChIKeyXWSKISPECUJZNW-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
CID 103392416
3-Fluoro-3-(oxolan-3-yl)butan-1-amine
CID 105431666
2-Fluoro-2-(oxolan-3-yl)butan-1-amine
CID 112566037
4-Fluoro-3-(oxolan-3-yl)pentan-1-amine
CID 115014541
6-Ethoxy-4-(2-ethoxyethyl)hexan-1-amine
CID 173130893
[3-(3-Methoxypropyl)oxolan-3-yl]methanamine
CID 62725114
3-Methoxy-1-(oxolan-3-yl)propan-1-amine
CID 63563045
2-Methyl-3-(oxolan-3-yl)propan-1-amine
CID 64664104
[3-(3-Ethoxypropyl)oxolan-3-yl]methanamine
CID 65180750
4-Amino-3-(oxolan-3-yl)butan-1-ol
CID 66091432
4-Amino-3-(oxolan-3-yl)pentan-1-ol
CID 66091697
3-(Oxolan-3-yl)butan-2-amine
CID 80076247

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oxolan-3-yl)butan-1-amine?
The IUPAC name of 4-methoxy-3-(oxolan-3-yl)butan-1-amine (CID 115014177) is 4-methoxy-3-(oxolan-3-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-3-(oxolan-3-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-3-(oxolan-3-yl)butan-1-amine is COCC(CCN)C1CCOC1.
What is the InChIKey of 4-methoxy-3-(oxolan-3-yl)butan-1-amine?
The InChIKey is XWSKISPECUJZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-6-8(2-4-10)9-3-5-12-7-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 4-methoxy-3-(oxolan-3-yl)butan-1-amine?
4-methoxy-3-(oxolan-3-yl)butan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oxolan-3-yl)butan-1-amine is sourced from PubChem (CID 115014177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).