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

C12H23NO — CID 65164621

IUPAC1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)C1CCC1
InChIInChI=1S/C12H23NO/c13-12(10-4-1-5-10)8-2-6-11-7-3-9-14-11/h10-12H,1-9,13H2
InChIKeyKMPGOHRMYLLRSP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.46
Rot. Bonds5

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

1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65164621) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID65164621
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)C1CCC1
InChIInChI=1S/C12H23NO/c13-12(10-4-1-5-10)8-2-6-11-7-3-9-14-11/h10-12H,1-9,13H2
InChIKeyKMPGOHRMYLLRSP-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.46
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)butan-1-amine?
The IUPAC name of 1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine (CID 65164621) is 1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine is NC(CCCC1CCCO1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is KMPGOHRMYLLRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-12(10-4-1-5-10)8-2-6-11-7-3-9-14-11/h10-12H,1-9,13H2.
What are the key properties of 1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine?
1-cyclobutyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.46, 5 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)butan-1-amine is sourced from PubChem (CID 65164621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).