N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine

C15H23N3O — CID 156651438

IUPACN,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine
SMILESCc1ccc(C2CCOC2)c(N2CC(N(C)C)C2)n1
InChIInChI=1S/C15H23N3O/c1-11-4-5-14(12-6-7-19-10-12)15(16-11)18-8-13(9-18)17(2)3/h4-5,12-13H,6-10H2,1-3H3
InChIKeyMVAOBHCPJJNZCX-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.64
Rot. Bonds3

About N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine

N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine (PubChem CID 156651438) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine
PubChem CID156651438
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine
SMILESCc1ccc(C2CCOC2)c(N2CC(N(C)C)C2)n1
InChIInChI=1S/C15H23N3O/c1-11-4-5-14(12-6-7-19-10-12)15(16-11)18-8-13(9-18)17(2)3/h4-5,12-13H,6-10H2,1-3H3
InChIKeyMVAOBHCPJJNZCX-UHFFFAOYSA-N
XLogP1.64
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine (CID 156651438) is N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine is Cc1ccc(C2CCOC2)c(N2CC(N(C)C)C2)n1.
What is the InChIKey of N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine?
The InChIKey is MVAOBHCPJJNZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-5-14(12-6-7-19-10-12)15(16-11)18-8-13(9-18)17(2)3/h4-5,12-13H,6-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine?
N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine has a molecular weight of 261.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-methyl-3-(oxolan-3-yl)-2-pyridinyl]azetidin-3-amine is sourced from PubChem (CID 156651438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).