N-benzyl-3,5-dimethyladamantan-1-amine

C19H27N — CID 4721832

IUPACN-benzyl-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCc1ccccc1)(C3)C2
InChIInChI=1S/C19H27N/c1-17-8-16-9-18(2,12-17)14-19(10-16,13-17)20-11-15-6-4-3-5-7-15/h3-7,16,20H,8-14H2,1-2H3
InChIKeyBBTIIMFGVUDAHP-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.53
Rot. Bonds3

About N-benzyl-3,5-dimethyladamantan-1-amine

N-benzyl-3,5-dimethyladamantan-1-amine (PubChem CID 4721832) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-benzyl-3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-benzyl-3,5-dimethyladamantan-1-amine
PubChem CID4721832
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-benzyl-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCc1ccccc1)(C3)C2
InChIInChI=1S/C19H27N/c1-17-8-16-9-18(2,12-17)14-19(10-16,13-17)20-11-15-6-4-3-5-7-15/h3-7,16,20H,8-14H2,1-2H3
InChIKeyBBTIIMFGVUDAHP-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-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-benzyl-3,5-dimethyladamantan-1-amine?
The IUPAC name of N-benzyl-3,5-dimethyladamantan-1-amine (CID 4721832) is N-benzyl-3,5-dimethyladamantan-1-amine.
What is the SMILES notation for N-benzyl-3,5-dimethyladamantan-1-amine?
The canonical SMILES for N-benzyl-3,5-dimethyladamantan-1-amine is CC12CC3CC(C)(C1)CC(NCc1ccccc1)(C3)C2.
What is the InChIKey of N-benzyl-3,5-dimethyladamantan-1-amine?
The InChIKey is BBTIIMFGVUDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-17-8-16-9-18(2,12-17)14-19(10-16,13-17)20-11-15-6-4-3-5-7-15/h3-7,16,20H,8-14H2,1-2H3.
What are the key properties of N-benzyl-3,5-dimethyladamantan-1-amine?
N-benzyl-3,5-dimethyladamantan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 4721832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).