N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C15H21NO — CID 79239587

IUPACN-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NC1CCC1)CCC2
InChIInChI=1S/C15H21NO/c1-17-13-9-8-11-4-2-7-15(14(11)10-13)16-12-5-3-6-12/h8-10,12,15-16H,2-7H2,1H3
InChIKeyOBMKSYORHHRQRA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.21
Rot. Bonds3

About N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79239587) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79239587
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NC1CCC1)CCC2
InChIInChI=1S/C15H21NO/c1-17-13-9-8-11-4-2-7-15(14(11)10-13)16-12-5-3-6-12/h8-10,12,15-16H,2-7H2,1H3
InChIKeyOBMKSYORHHRQRA-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79239587) is N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NC1CCC1)CCC2.
What is the InChIKey of N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OBMKSYORHHRQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-13-9-8-11-4-2-7-15(14(11)10-13)16-12-5-3-6-12/h8-10,12,15-16H,2-7H2,1H3.
What are the key properties of N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79239587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).