1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine

C14H27NO — CID 65164671

IUPAC1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)C1CCC1
InChIInChI=1S/C14H27NO/c1-2-15-14(12-6-3-7-12)10-4-8-13-9-5-11-16-13/h12-15H,2-11H2,1H3
InChIKeyQWYQDQOURKSPFS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds7

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

1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65164671) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID65164671
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCNC(CCCC1CCCO1)C1CCC1
InChIInChI=1S/C14H27NO/c1-2-15-14(12-6-3-7-12)10-4-8-13-9-5-11-16-13/h12-15H,2-11H2,1H3
InChIKeyQWYQDQOURKSPFS-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine (CID 65164671) is 1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine is CCNC(CCCC1CCCO1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is QWYQDQOURKSPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-15-14(12-6-3-7-12)10-4-8-13-9-5-11-16-13/h12-15H,2-11H2,1H3.
What are the key properties of 1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine?
1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65164671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).