N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine

C12H17NO — CID 54347054

IUPACN-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
SMILESCONCc1cccc2c1CCCC2
InChIInChI=1S/C12H17NO/c1-14-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h4,6-7,13H,2-3,5,8-9H2,1H3
InChIKeyUDAPGPYIYQCNSW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.22
Rot. Bonds3

About N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine

N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 54347054) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
PubChem CID54347054
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
SMILESCONCc1cccc2c1CCCC2
InChIInChI=1S/C12H17NO/c1-14-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h4,6-7,13H,2-3,5,8-9H2,1H3
InChIKeyUDAPGPYIYQCNSW-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine (CID 54347054) is N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine is CONCc1cccc2c1CCCC2.
What is the InChIKey of N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is UDAPGPYIYQCNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h4,6-7,13H,2-3,5,8-9H2,1H3.
What are the key properties of N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine?
N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 54347054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).