3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine

C18H33NO — CID 106452215

IUPAC3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine
SMILESCC(C)COCCNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-14(2)10-20-6-5-19-18-9-15-7-16(3,12-18)11-17(4,8-15)13-18/h14-15,19H,5-13H2,1-4H3
InChIKeyLCPGVUFWFWURKA-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.00
Rot. Bonds6

About 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine

3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine (PubChem CID 106452215) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine
PubChem CID106452215
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine
SMILESCC(C)COCCNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H33NO/c1-14(2)10-20-6-5-19-18-9-15-7-16(3,12-18)11-17(4,8-15)13-18/h14-15,19H,5-13H2,1-4H3
InChIKeyLCPGVUFWFWURKA-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine?
The IUPAC name of 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine (CID 106452215) is 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine is CC(C)COCCNC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine?
The InChIKey is LCPGVUFWFWURKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14(2)10-20-6-5-19-18-9-15-7-16(3,12-18)11-17(4,8-15)13-18/h14-15,19H,5-13H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine?
3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine is sourced from PubChem (CID 106452215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).