3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine

C14H17N3 — CID 146766968

IUPAC3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine
SMILESNC1CC(CCc2ccc3cccnc3n2)C1
InChIInChI=1S/C14H17N3/c15-12-8-10(9-12)3-5-13-6-4-11-2-1-7-16-14(11)17-13/h1-2,4,6-7,10,12H,3,5,8-9,15H2
InChIKeyRQUSUEGRANIVQE-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.30
Rot. Bonds3

About 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine

3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 146766968) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine
PubChem CID146766968
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine
SMILESNC1CC(CCc2ccc3cccnc3n2)C1
InChIInChI=1S/C14H17N3/c15-12-8-10(9-12)3-5-13-6-4-11-2-1-7-16-14(11)17-13/h1-2,4,6-7,10,12H,3,5,8-9,15H2
InChIKeyRQUSUEGRANIVQE-UHFFFAOYSA-N
XLogP2.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine (CID 146766968) is 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine is NC1CC(CCc2ccc3cccnc3n2)C1.
What is the InChIKey of 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is RQUSUEGRANIVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-12-8-10(9-12)3-5-13-6-4-11-2-1-7-16-14(11)17-13/h1-2,4,6-7,10,12H,3,5,8-9,15H2.
What are the key properties of 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine?
3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,8-naphthyridin-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 146766968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).