N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

C15H21N — CID 10330900

IUPACN-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCNC12CCCCC1CCc1ccccc12
InChIInChI=1S/C15H21N/c1-16-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15/h2-3,6,8,13,16H,4-5,7,9-11H2,1H3
InChIKeyPKFYGNRBXOMAQD-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.24
Rot. Bonds1

About N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (PubChem CID 10330900) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound NameN-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
PubChem CID10330900
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCNC12CCCCC1CCc1ccccc12
InChIInChI=1S/C15H21N/c1-16-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15/h2-3,6,8,13,16H,4-5,7,9-11H2,1H3
InChIKeyPKFYGNRBXOMAQD-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The IUPAC name of N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (CID 10330900) is N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The canonical SMILES for N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is CNC12CCCCC1CCc1ccccc12.
What is the InChIKey of N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The InChIKey is PKFYGNRBXOMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-16-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)15/h2-3,6,8,13,16H,4-5,7,9-11H2,1H3.
What are the key properties of N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine has a molecular weight of 215.34 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 10330900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).