3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride

C9H13ClN2O — CID 167741506

IUPAC3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Oc2ccncc2)C1
InChIInChI=1S/C9H12N2O.ClH/c10-7-5-9(6-7)12-8-1-3-11-4-2-8;/h1-4,7,9H,5-6,10H2;1H
InChIKeyNRLDMHRXMJFTHD-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.37
Rot. Bonds2

About 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride

3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride (PubChem CID 167741506) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride
PubChem CID167741506
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Oc2ccncc2)C1
InChIInChI=1S/C9H12N2O.ClH/c10-7-5-9(6-7)12-8-1-3-11-4-2-8;/h1-4,7,9H,5-6,10H2;1H
InChIKeyNRLDMHRXMJFTHD-UHFFFAOYSA-N
XLogP1.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride (CID 167741506) is 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride is Cl.NC1CC(Oc2ccncc2)C1.
What is the InChIKey of 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride?
The InChIKey is NRLDMHRXMJFTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c10-7-5-9(6-7)12-8-1-3-11-4-2-8;/h1-4,7,9H,5-6,10H2;1H.
What are the key properties of 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride?
3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 167741506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).