N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride

C17H22ClN — CID 23292615

IUPACN-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride
SMILESCNC(C)C1(c2ccc3ccccc3c2)CCC1.Cl
InChIInChI=1S/C17H21N.ClH/c1-13(18-2)17(10-5-11-17)16-9-8-14-6-3-4-7-15(14)12-16;/h3-4,6-9,12-13,18H,5,10-11H2,1-2H3;1H
InChIKeyKJXSWVMIOSTDSG-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.29
Rot. Bonds3

About N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride

N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride (PubChem CID 23292615) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride
PubChem CID23292615
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC NameN-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride
SMILESCNC(C)C1(c2ccc3ccccc3c2)CCC1.Cl
InChIInChI=1S/C17H21N.ClH/c1-13(18-2)17(10-5-11-17)16-9-8-14-6-3-4-7-15(14)12-16;/h3-4,6-9,12-13,18H,5,10-11H2,1-2H3;1H
InChIKeyKJXSWVMIOSTDSG-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride (CID 23292615) is N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride is CNC(C)C1(c2ccc3ccccc3c2)CCC1.Cl.
What is the InChIKey of N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride?
The InChIKey is KJXSWVMIOSTDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.ClH/c1-13(18-2)17(10-5-11-17)16-9-8-14-6-3-4-7-15(14)12-16;/h3-4,6-9,12-13,18H,5,10-11H2,1-2H3;1H.
What are the key properties of N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride?
N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-naphthalen-2-ylcyclobutyl)ethanamine;hydrochloride is sourced from PubChem (CID 23292615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).