N-benzyl-2,2-dimethyladamantan-1-amine

C19H27N — CID 71452180

IUPACN-benzyl-2,2-dimethyladamantan-1-amine
SMILESCC1(C)C2CC3CC(C2)CC1(NCc1ccccc1)C3
InChIInChI=1S/C19H27N/c1-18(2)17-9-15-8-16(10-17)12-19(18,11-15)20-13-14-6-4-3-5-7-14/h3-7,15-17,20H,8-13H2,1-2H3
InChIKeyLVZBBDOQXVJIPA-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.38
Rot. Bonds3

About N-benzyl-2,2-dimethyladamantan-1-amine

N-benzyl-2,2-dimethyladamantan-1-amine (PubChem CID 71452180) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyladamantan-1-amine
PubChem CID71452180
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-benzyl-2,2-dimethyladamantan-1-amine
SMILESCC1(C)C2CC3CC(C2)CC1(NCc1ccccc1)C3
InChIInChI=1S/C19H27N/c1-18(2)17-9-15-8-16(10-17)12-19(18,11-15)20-13-14-6-4-3-5-7-14/h3-7,15-17,20H,8-13H2,1-2H3
InChIKeyLVZBBDOQXVJIPA-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyladamantan-1-amine?
The IUPAC name of N-benzyl-2,2-dimethyladamantan-1-amine (CID 71452180) is N-benzyl-2,2-dimethyladamantan-1-amine.
What is the SMILES notation for N-benzyl-2,2-dimethyladamantan-1-amine?
The canonical SMILES for N-benzyl-2,2-dimethyladamantan-1-amine is CC1(C)C2CC3CC(C2)CC1(NCc1ccccc1)C3.
What is the InChIKey of N-benzyl-2,2-dimethyladamantan-1-amine?
The InChIKey is LVZBBDOQXVJIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-18(2)17-9-15-8-16(10-17)12-19(18,11-15)20-13-14-6-4-3-5-7-14/h3-7,15-17,20H,8-13H2,1-2H3.
What are the key properties of N-benzyl-2,2-dimethyladamantan-1-amine?
N-benzyl-2,2-dimethyladamantan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyladamantan-1-amine is sourced from PubChem (CID 71452180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).