N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine

C11H17N3 — CID 155103834

IUPACN-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine
SMILESCc1cc(CNC2CNC2)cc(C)n1
InChIInChI=1S/C11H17N3/c1-8-3-10(4-9(2)14-8)5-13-11-6-12-7-11/h3-4,11-13H,5-7H2,1-2H3
InChIKeyCCBGEFFZPNPDJD-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.76
Rot. Bonds3

About N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine

N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine (PubChem CID 155103834) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine
PubChem CID155103834
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine
SMILESCc1cc(CNC2CNC2)cc(C)n1
InChIInChI=1S/C11H17N3/c1-8-3-10(4-9(2)14-8)5-13-11-6-12-7-11/h3-4,11-13H,5-7H2,1-2H3
InChIKeyCCBGEFFZPNPDJD-UHFFFAOYSA-N
XLogP0.76
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine?
The IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine (CID 155103834) is N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine.
What is the SMILES notation for N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine?
The canonical SMILES for N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine is Cc1cc(CNC2CNC2)cc(C)n1.
What is the InChIKey of N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine?
The InChIKey is CCBGEFFZPNPDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-3-10(4-9(2)14-8)5-13-11-6-12-7-11/h3-4,11-13H,5-7H2,1-2H3.
What are the key properties of N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine?
N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-4-pyridinyl)methyl]azetidin-3-amine is sourced from PubChem (CID 155103834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).