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

C16H23N — CID 15657719

IUPACN,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCN(C)C12CCCCC1CCc1ccccc12
InChIInChI=1S/C16H23N/c1-17(2)16-12-6-5-8-14(16)11-10-13-7-3-4-9-15(13)16/h3-4,7,9,14H,5-6,8,10-12H2,1-2H3
InChIKeyCRRGPBAEOBRTMN-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.58
Rot. Bonds1

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

N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (PubChem CID 15657719) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
PubChem CID15657719
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCN(C)C12CCCCC1CCc1ccccc12
InChIInChI=1S/C16H23N/c1-17(2)16-12-6-5-8-14(16)11-10-13-7-3-4-9-15(13)16/h3-4,7,9,14H,5-6,8,10-12H2,1-2H3
InChIKeyCRRGPBAEOBRTMN-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The IUPAC name of N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (CID 15657719) is N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The canonical SMILES for N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is CN(C)C12CCCCC1CCc1ccccc12.
What is the InChIKey of N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The InChIKey is CRRGPBAEOBRTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-17(2)16-12-6-5-8-14(16)11-10-13-7-3-4-9-15(13)16/h3-4,7,9,14H,5-6,8,10-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine has a molecular weight of 229.37 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 15657719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).