N-(2-methoxyethyl)adamantan-1-amine

C13H23NO — CID 23009187

IUPACN-(2-methoxyethyl)adamantan-1-amine
SMILESCOCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-15-3-2-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3
InChIKeyKGTDRCBZHQMNKB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds4

About N-(2-methoxyethyl)adamantan-1-amine

N-(2-methoxyethyl)adamantan-1-amine (PubChem CID 23009187) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)adamantan-1-amine
PubChem CID23009187
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(2-methoxyethyl)adamantan-1-amine
SMILESCOCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO/c1-15-3-2-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3
InChIKeyKGTDRCBZHQMNKB-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
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 N-(2-methoxyethyl)adamantan-1-amine?
The IUPAC name of N-(2-methoxyethyl)adamantan-1-amine (CID 23009187) is N-(2-methoxyethyl)adamantan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)adamantan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)adamantan-1-amine is COCCNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-methoxyethyl)adamantan-1-amine?
The InChIKey is KGTDRCBZHQMNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-15-3-2-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)adamantan-1-amine?
N-(2-methoxyethyl)adamantan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)adamantan-1-amine is sourced from PubChem (CID 23009187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).