N-cyclobutyloxan-4-amine;hydrochloride

C9H18ClNO — CID 155970514

IUPACN-cyclobutyloxan-4-amine;hydrochloride
SMILESC1CC(NC2CCOCC2)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-8(3-1)10-9-4-6-11-7-5-9;/h8-10H,1-7H2;1H
InChIKeyMYYLKDCDXKTTGL-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds2

About N-cyclobutyloxan-4-amine;hydrochloride

N-cyclobutyloxan-4-amine;hydrochloride (PubChem CID 155970514) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N-cyclobutyloxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-cyclobutyloxan-4-amine;hydrochloride
PubChem CID155970514
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN-cyclobutyloxan-4-amine;hydrochloride
SMILESC1CC(NC2CCOCC2)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-8(3-1)10-9-4-6-11-7-5-9;/h8-10H,1-7H2;1H
InChIKeyMYYLKDCDXKTTGL-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyloxan-4-amine;hydrochloride?
The IUPAC name of N-cyclobutyloxan-4-amine;hydrochloride (CID 155970514) is N-cyclobutyloxan-4-amine;hydrochloride.
What is the SMILES notation for N-cyclobutyloxan-4-amine;hydrochloride?
The canonical SMILES for N-cyclobutyloxan-4-amine;hydrochloride is C1CC(NC2CCOCC2)C1.Cl.
What is the InChIKey of N-cyclobutyloxan-4-amine;hydrochloride?
The InChIKey is MYYLKDCDXKTTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-2-8(3-1)10-9-4-6-11-7-5-9;/h8-10H,1-7H2;1H.
What are the key properties of N-cyclobutyloxan-4-amine;hydrochloride?
N-cyclobutyloxan-4-amine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyloxan-4-amine;hydrochloride is sourced from PubChem (CID 155970514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).