N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine

C32H58N4O2 — CID 159328945

About N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine

N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine (PubChem CID 159328945) has the molecular formula C32H58N4O2 and a molecular weight of 530.84 g/mol. Its IUPAC name is N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine.

Molecular Properties

• Compound Name: N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
• PubChem CID: 159328945
• Molecular Formula: C32H58N4O2
• Molecular Weight: 530.84 g/mol
• Exact Mass: 530.46
• IUPAC Name: N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
• SMILES: CC(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)NC1CC(Oc2cc(C(C)C)ccn2)C1
• InChI: InChI=1S/C17H34N2O.C15H24N2O/c1-13(2)12-19-8-6-15(7-9-19)20-16-10-14(11-16)18-17(3,4)5;1-10(2)12-5-6-16-15(7-12)18-14-8-13(9-14)17-11(3)4/h13-16,18H,6-12H2,1-5H3;5-7,10-11,13-14,17H,8-9H2,1-4H3
• InChIKey: LESNVIGAYIKBRD-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 58.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.84
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine?

The IUPAC name of N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine (CID 159328945) is N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine.

What is the SMILES notation for N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine?

The canonical SMILES for N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine is CC(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)NC1CC(Oc2cc(C(C)C)ccn2)C1.

What is the InChIKey of N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine?

The InChIKey is LESNVIGAYIKBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O.C15H24N2O/c1-13(2)12-19-8-6-15(7-9-19)20-16-10-14(11-16)18-17(3,4)5;1-10(2)12-5-6-16-15(7-12)18-14-8-13(9-14)17-11(3)4/h13-16,18H,6-12H2,1-5H3;5-7,10-11,13-14,17H,8-9H2,1-4H3.

What are the key properties of N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine?

N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine has a molecular weight of 530.84 g/mol, XLogP of 6.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-[1-(2-methylpropyl)piperidin-4-yl]oxycyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 159328945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).