N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine

C17H17NO — CID 13374326

IUPACN-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCONC1(C)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C17H17NO/c1-17(18-19-2)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17/h3-12,18H,1-2H3
InChIKeyPGECQHZQBPMLIB-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.58
Rot. Bonds2

About N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine

N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (PubChem CID 13374326) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.

Molecular Properties

Compound NameN-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
PubChem CID13374326
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCONC1(C)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C17H17NO/c1-17(18-19-2)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17/h3-12,18H,1-2H3
InChIKeyPGECQHZQBPMLIB-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The IUPAC name of N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (CID 13374326) is N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.
What is the SMILES notation for N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The canonical SMILES for N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is CONC1(C)c2ccccc2C=Cc2ccccc21.
What is the InChIKey of N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The InChIKey is PGECQHZQBPMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-17(18-19-2)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17/h3-12,18H,1-2H3.
What are the key properties of N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is sourced from PubChem (CID 13374326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).