1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine

C15H29NO — CID 65164673

IUPAC1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CCC1
InChIInChI=1S/C15H29NO/c1-2-11-16-15(13-6-3-7-13)10-4-8-14-9-5-12-17-14/h13-16H,2-12H2,1H3
InChIKeyBRILCATUGSFGFP-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds8

About 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine

1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 65164673) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID65164673
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CCC1
InChIInChI=1S/C15H29NO/c1-2-11-16-15(13-6-3-7-13)10-4-8-14-9-5-12-17-14/h13-16H,2-12H2,1H3
InChIKeyBRILCATUGSFGFP-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 65164673) is 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is BRILCATUGSFGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-11-16-15(13-6-3-7-13)10-4-8-14-9-5-12-17-14/h13-16H,2-12H2,1H3.
What are the key properties of 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65164673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).