(8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine

C15H17NO — CID 175621829

IUPAC(8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine
SMILESCN[C@]1(C)C=CC2C=Cc3occc3C2C=C1
InChIInChI=1S/C15H17NO/c1-15(16-2)8-5-11-3-4-14-13(7-10-17-14)12(11)6-9-15/h3-12,16H,1-2H3/t11?,12?,15-/m1/s1
InChIKeyUQCJHEUKJLSAJE-KOHJWAIASA-N
MW227.31 g/mol
LogP3.11
Rot. Bonds1

About (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine

(8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine (PubChem CID 175621829) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine.

Molecular Properties

Compound Name(8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine
PubChem CID175621829
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine
SMILESCN[C@]1(C)C=CC2C=Cc3occc3C2C=C1
InChIInChI=1S/C15H17NO/c1-15(16-2)8-5-11-3-4-14-13(7-10-17-14)12(11)6-9-15/h3-12,16H,1-2H3/t11?,12?,15-/m1/s1
InChIKeyUQCJHEUKJLSAJE-KOHJWAIASA-N
XLogP3.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine?
The IUPAC name of (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine (CID 175621829) is (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine.
What is the SMILES notation for (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine?
The canonical SMILES for (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine is CN[C@]1(C)C=CC2C=Cc3occc3C2C=C1.
What is the InChIKey of (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine?
The InChIKey is UQCJHEUKJLSAJE-KOHJWAIASA-N. The full InChI is InChI=1S/C15H17NO/c1-15(16-2)8-5-11-3-4-14-13(7-10-17-14)12(11)6-9-15/h3-12,16H,1-2H3/t11?,12?,15-/m1/s1.
What are the key properties of (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine?
(8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine has a molecular weight of 227.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N,8-dimethyl-5a,10a-dihydrocyclohepta[e][1]benzofuran-8-amine is sourced from PubChem (CID 175621829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).