N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine

C33H54N6O — CID 126671495

IUPACN-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine
SMILESCC(C)(CCC(C)(C)NC1CN(c2ccc(C(C)(C)C)cn2)C1)COc1ccc(N2CC(NC(C)(C)C)C2)nc1
InChIInChI=1S/C33H54N6O/c1-30(2,3)24-11-13-28(34-17-24)39-21-26(22-39)37-33(9,10)16-15-32(7,8)23-40-27-12-14-29(35-18-27)38-19-25(20-38)36-31(4,5)6/h11-14,17-18,25-26,36-37H,15-16,19-23H2,1-10H3
InChIKeyMPANZJRSDWFRIX-UHFFFAOYSA-N
MW550.84 g/mol
LogP5.79
Rot. Bonds11

About N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine

N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine (PubChem CID 126671495) has the molecular formula C33H54N6O and a molecular weight of 550.84 g/mol. Its IUPAC name is N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine
PubChem CID126671495
Molecular FormulaC33H54N6O
Molecular Weight550.84 g/mol
Exact Mass550.44
IUPAC NameN-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine
SMILESCC(C)(CCC(C)(C)NC1CN(c2ccc(C(C)(C)C)cn2)C1)COc1ccc(N2CC(NC(C)(C)C)C2)nc1
InChIInChI=1S/C33H54N6O/c1-30(2,3)24-11-13-28(34-17-24)39-21-26(22-39)37-33(9,10)16-15-32(7,8)23-40-27-12-14-29(35-18-27)38-19-25(20-38)36-31(4,5)6/h11-14,17-18,25-26,36-37H,15-16,19-23H2,1-10H3
InChIKeyMPANZJRSDWFRIX-UHFFFAOYSA-N
XLogP5.79
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.84
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
N-[6-[[6-[3-(tert-butylamino)cyclobutyl]oxy-3-pyridinyl]oxy]-2,5,5-trimethylhexan-2-yl]-1-(4-tert-butyl-2-pyridinyl)pyrrolidin-3-amine
CID 146179558
N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine
CID 167241662
(3aS,6aR)-5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042499
5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107875138
N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654407
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
CID 107875654
7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 170179138
N-[2,2-difluoro-3-[(6-piperazin-1-yl-3-pyridinyl)oxy]propyl]-2-methylpropan-2-amine
CID 177295907
1-(5-tert-butyl-2-pyridinyl)-N-ethylpiperidin-4-amine
CID 107874233
1-(5-tert-butyl-2-pyridinyl)-N-propylpiperidin-4-amine
CID 107874234
1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine
CID 134488836

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine?
The IUPAC name of N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine (CID 126671495) is N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine.
What is the SMILES notation for N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine?
The canonical SMILES for N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine is CC(C)(CCC(C)(C)NC1CN(c2ccc(C(C)(C)C)cn2)C1)COc1ccc(N2CC(NC(C)(C)C)C2)nc1.
What is the InChIKey of N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine?
The InChIKey is MPANZJRSDWFRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54N6O/c1-30(2,3)24-11-13-28(34-17-24)39-21-26(22-39)37-33(9,10)16-15-32(7,8)23-40-27-12-14-29(35-18-27)38-19-25(20-38)36-31(4,5)6/h11-14,17-18,25-26,36-37H,15-16,19-23H2,1-10H3.
What are the key properties of N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine?
N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine has a molecular weight of 550.84 g/mol, XLogP of 5.79, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[5-[5-[[1-(5-tert-butyl-2-pyridinyl)azetidin-3-yl]amino]-2,2,5-trimethylhexoxy]-2-pyridinyl]azetidin-3-amine is sourced from PubChem (CID 126671495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).