N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine

C16H27N3 — CID 126654407

IUPACN-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine
SMILESCC(C)(C)NC1CN(c2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C16H27N3/c1-15(2,3)12-7-8-17-14(9-12)19-10-13(11-19)18-16(4,5)6/h7-9,13,18H,10-11H2,1-6H3
InChIKeyMYLQLCYKJUVDHS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.96
Rot. Bonds2

About N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine

N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine (PubChem CID 126654407) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine
PubChem CID126654407
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine
SMILESCC(C)(C)NC1CN(c2cc(C(C)(C)C)ccn2)C1
InChIInChI=1S/C16H27N3/c1-15(2,3)12-7-8-17-14(9-12)19-10-13(11-19)18-16(4,5)6/h7-9,13,18H,10-11H2,1-6H3
InChIKeyMYLQLCYKJUVDHS-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine
CID 163807662
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
(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine
CID 163466269
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-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
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
(3R)-N-tert-butyl-1-[4-[4-[[3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutyl]amino]-4-methylpentyl]phenyl]pyrrolidin-3-amine
CID 134339647
2-(azetidin-1-yl)-4-(2-methylbutan-2-yl)pyridine
CID 71155012
2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 164586756
tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt
CID 157199810
2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 164587109

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine?
The IUPAC name of N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine (CID 126654407) is N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine.
What is the SMILES notation for N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine?
The canonical SMILES for N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine is CC(C)(C)NC1CN(c2cc(C(C)(C)C)ccn2)C1.
What is the InChIKey of N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine?
The InChIKey is MYLQLCYKJUVDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-15(2,3)12-7-8-17-14(9-12)19-10-13(11-19)18-16(4,5)6/h7-9,13,18H,10-11H2,1-6H3.
What are the key properties of N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine?
N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine is sourced from PubChem (CID 126654407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).