N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine

C15H23Cl2N — CID 79997830

IUPACN-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCC(Cl)=CCl)(C3)C2
InChIInChI=1S/C15H23Cl2N/c1-13-3-11-4-14(2,8-13)10-15(5-11,9-13)18-7-12(17)6-16/h6,11,18H,3-5,7-10H2,1-2H3
InChIKeyYWMVASVGVSNBES-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.64
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine

N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine (PubChem CID 79997830) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine
PubChem CID79997830
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC NameN-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCC(Cl)=CCl)(C3)C2
InChIInChI=1S/C15H23Cl2N/c1-13-3-11-4-14(2,8-13)10-15(5-11,9-13)18-7-12(17)6-16/h6,11,18H,3-5,7-10H2,1-2H3
InChIKeyYWMVASVGVSNBES-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-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-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine (CID 79997830) is N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine is CC12CC3CC(C)(C1)CC(NCC(Cl)=CCl)(C3)C2.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine?
The InChIKey is YWMVASVGVSNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-13-3-11-4-14(2,8-13)10-15(5-11,9-13)18-7-12(17)6-16/h6,11,18H,3-5,7-10H2,1-2H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine?
N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 79997830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).