1-(oxolan-3-yl)-N-propylbutan-1-amine

C11H23NO — CID 63564560

IUPAC1-(oxolan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)C1CCOC1
InChIInChI=1S/C11H23NO/c1-3-5-11(12-7-4-2)10-6-8-13-9-10/h10-12H,3-9H2,1-2H3
InChIKeyKJIPCRBJPUJKSE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds6

About 1-(oxolan-3-yl)-N-propylbutan-1-amine

1-(oxolan-3-yl)-N-propylbutan-1-amine (PubChem CID 63564560) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-propylbutan-1-amine
PubChem CID63564560
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(oxolan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)C1CCOC1
InChIInChI=1S/C11H23NO/c1-3-5-11(12-7-4-2)10-6-8-13-9-10/h10-12H,3-9H2,1-2H3
InChIKeyKJIPCRBJPUJKSE-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103027191
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CID 103029405
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CID 103029408
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CID 103031412
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CID 103031567
CID 103031567

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(oxolan-3-yl)-N-propylbutan-1-amine (CID 63564560) is 1-(oxolan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(oxolan-3-yl)-N-propylbutan-1-amine is CCCNC(CCC)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-propylbutan-1-amine?
The InChIKey is KJIPCRBJPUJKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-11(12-7-4-2)10-6-8-13-9-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-N-propylbutan-1-amine?
1-(oxolan-3-yl)-N-propylbutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 63564560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).