2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine

C11H17N3O — CID 117096129

IUPAC2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine
SMILESNCC1(COc2ncccc2N)CCC1
InChIInChI=1S/C11H17N3O/c12-7-11(4-2-5-11)8-15-10-9(13)3-1-6-14-10/h1,3,6H,2,4-5,7-8,12-13H2
InChIKeyQHKIJMGYUUENLX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.17
Rot. Bonds4

About 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine

2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine (PubChem CID 117096129) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine
PubChem CID117096129
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine
SMILESNCC1(COc2ncccc2N)CCC1
InChIInChI=1S/C11H17N3O/c12-7-11(4-2-5-11)8-15-10-9(13)3-1-6-14-10/h1,3,6H,2,4-5,7-8,12-13H2
InChIKeyQHKIJMGYUUENLX-UHFFFAOYSA-N
XLogP1.17
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine?
The IUPAC name of 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine (CID 117096129) is 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine?
The canonical SMILES for 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine is NCC1(COc2ncccc2N)CCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine?
The InChIKey is QHKIJMGYUUENLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-7-11(4-2-5-11)8-15-10-9(13)3-1-6-14-10/h1,3,6H,2,4-5,7-8,12-13H2.
What are the key properties of 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine?
2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine has a molecular weight of 207.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclobutyl]methoxy]pyridin-3-amine is sourced from PubChem (CID 117096129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).