N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine

C16H32N2O — CID 134414533

IUPACN-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine
SMILESCCCN1CCC(OC2CC(NC(C)(C)C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-5-8-18-9-6-14(7-10-18)19-15-11-13(12-15)17-16(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeySFUVXVYVTAPIQI-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds5

About N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine

N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine (PubChem CID 134414533) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine
PubChem CID134414533
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine
SMILESCCCN1CCC(OC2CC(NC(C)(C)C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-5-8-18-9-6-14(7-10-18)19-15-11-13(12-15)17-16(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeySFUVXVYVTAPIQI-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine?
The IUPAC name of N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine (CID 134414533) is N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine is CCCN1CCC(OC2CC(NC(C)(C)C)C2)CC1.
What is the InChIKey of N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine?
The InChIKey is SFUVXVYVTAPIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-8-18-9-6-14(7-10-18)19-15-11-13(12-15)17-16(2,3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine?
N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-propylpiperidin-4-yl)oxycyclobutan-1-amine is sourced from PubChem (CID 134414533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).