N-tert-butyl-3,5-dimethyladamantan-1-amine

C16H29N — CID 59574547

IUPACN-tert-butyl-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NC(C)(C)C)(C3)C2
InChIInChI=1S/C16H29N/c1-13(2,3)17-16-8-12-6-14(4,10-16)9-15(5,7-12)11-16/h12,17H,6-11H2,1-5H3
InChIKeyBLZZTVDRZXRZFS-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.12
Rot. Bonds1

About N-tert-butyl-3,5-dimethyladamantan-1-amine

N-tert-butyl-3,5-dimethyladamantan-1-amine (PubChem CID 59574547) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-tert-butyl-3,5-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,5-dimethyladamantan-1-amine
PubChem CID59574547
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-tert-butyl-3,5-dimethyladamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NC(C)(C)C)(C3)C2
InChIInChI=1S/C16H29N/c1-13(2,3)17-16-8-12-6-14(4,10-16)9-15(5,7-12)11-16/h12,17H,6-11H2,1-5H3
InChIKeyBLZZTVDRZXRZFS-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5-dimethyladamantan-1-amine?
The IUPAC name of N-tert-butyl-3,5-dimethyladamantan-1-amine (CID 59574547) is N-tert-butyl-3,5-dimethyladamantan-1-amine.
What is the SMILES notation for N-tert-butyl-3,5-dimethyladamantan-1-amine?
The canonical SMILES for N-tert-butyl-3,5-dimethyladamantan-1-amine is CC12CC3CC(C)(C1)CC(NC(C)(C)C)(C3)C2.
What is the InChIKey of N-tert-butyl-3,5-dimethyladamantan-1-amine?
The InChIKey is BLZZTVDRZXRZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-13(2,3)17-16-8-12-6-14(4,10-16)9-15(5,7-12)11-16/h12,17H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-3,5-dimethyladamantan-1-amine?
N-tert-butyl-3,5-dimethyladamantan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,5-dimethyladamantan-1-amine is sourced from PubChem (CID 59574547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).