5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine

C19H25NO — CID 63513706

IUPAC5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
SMILESCCCNC1CCCCc2c1cc(OC)c1ccccc21
InChIInChI=1S/C19H25NO/c1-3-12-20-18-11-7-6-9-15-14-8-4-5-10-16(14)19(21-2)13-17(15)18/h4-5,8,10,13,18,20H,3,6-7,9,11-12H2,1-2H3
InChIKeyBJLZPABIQMKMEX-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.62
Rot. Bonds4

About 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine

5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (PubChem CID 63513706) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine.

Molecular Properties

Compound Name5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
PubChem CID63513706
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
SMILESCCCNC1CCCCc2c1cc(OC)c1ccccc21
InChIInChI=1S/C19H25NO/c1-3-12-20-18-11-7-6-9-15-14-8-4-5-10-16(14)19(21-2)13-17(15)18/h4-5,8,10,13,18,20H,3,6-7,9,11-12H2,1-2H3
InChIKeyBJLZPABIQMKMEX-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
The IUPAC name of 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine (CID 63513706) is 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine.
What is the SMILES notation for 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
The canonical SMILES for 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine is CCCNC1CCCCc2c1cc(OC)c1ccccc21.
What is the InChIKey of 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
The InChIKey is BJLZPABIQMKMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-12-20-18-11-7-6-9-15-14-8-4-5-10-16(14)19(21-2)13-17(15)18/h4-5,8,10,13,18,20H,3,6-7,9,11-12H2,1-2H3.
What are the key properties of 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine?
5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine has a molecular weight of 283.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine is sourced from PubChem (CID 63513706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).