N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane

C47H84F2N6O2 — CID 158143771

IUPACN-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane

SMILESCC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)NC1CCN(c2cc(C(C)(C)C)ccn2)C1

InChIInChI=1S/C17H29N3.C16H27N3O.C14H28F2O/c1-16(2,3)13-7-9-18-15(11-13)20-10-8-14(12-20)19-17(4,5)6;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6/h7,9,11,14,19H,8,10,12H2,1-6H3;9-12,19H,7-8H2,1-6H3;7-11H2,1-6H3

InChIKeyFUGLJYDFGASEJC-UHFFFAOYSA-N

MW803.22 g/mol

LogP11.46

Rot. Bonds11

About N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane

N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane (PubChem CID 158143771) has the molecular formula C47H84F2N6O2 and a molecular weight of 803.22 g/mol. Its IUPAC name is N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane.

Molecular Properties

Compound Name	N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
PubChem CID	158143771
Molecular Formula	C47H84F2N6O2
Molecular Weight	803.22 g/mol
Exact Mass	802.66
IUPAC Name	N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
SMILES	CC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)NC1CCN(c2cc(C(C)(C)C)ccn2)C1
InChI	InChI=1S/C17H29N3.C16H27N3O.C14H28F2O/c1-16(2,3)13-7-9-18-15(11-13)20-10-8-14(12-20)19-17(4,5)6;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6/h7,9,11,14,19H,8,10,12H2,1-6H3;9-12,19H,7-8H2,1-6H3;7-11H2,1-6H3
InChIKey	FUGLJYDFGASEJC-UHFFFAOYSA-N
XLogP	11.46
TPSA	84.43 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	57
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.22
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?

The IUPAC name of N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane (CID 158143771) is N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane.

What is the SMILES notation for N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?

The canonical SMILES for N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane is CC(C)(C)CCCC(F)(F)CCOC(C)(C)C.CC(C)(C)NC1CC(Oc2cnc(C(C)(C)C)cn2)C1.CC(C)(C)NC1CCN(c2cc(C(C)(C)C)ccn2)C1.

What is the InChIKey of N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?

The InChIKey is FUGLJYDFGASEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3.C16H27N3O.C14H28F2O/c1-16(2,3)13-7-9-18-15(11-13)20-10-8-14(12-20)19-17(4,5)6;1-15(2,3)13-9-18-14(10-17-13)20-12-7-11(8-12)19-16(4,5)6;1-12(2,3)8-7-9-14(15,16)10-11-17-13(4,5)6/h7,9,11,14,19H,8,10,12H2,1-6H3;9-12,19H,7-8H2,1-6H3;7-11H2,1-6H3.

What are the key properties of N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane?

N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane has a molecular weight of 803.22 g/mol, XLogP of 11.46, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-(5-tert-butylpyrazin-2-yl)oxycyclobutan-1-amine;N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine;3,3-difluoro-7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane is sourced from PubChem (CID 158143771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).