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

C14H25NO — CID 23009188

IUPACN-(2-ethoxyethyl)adamantan-1-amine
SMILESCCOCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-2-16-4-3-15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3
InChIKeyJXYDFELGTBSBFB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds5

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

N-(2-ethoxyethyl)adamantan-1-amine (PubChem CID 23009188) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(2-ethoxyethyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)adamantan-1-amine
PubChem CID23009188
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(2-ethoxyethyl)adamantan-1-amine
SMILESCCOCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO/c1-2-16-4-3-15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3
InChIKeyJXYDFELGTBSBFB-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
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-ethoxyethyl)adamantan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)adamantan-1-amine (CID 23009188) is N-(2-ethoxyethyl)adamantan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)adamantan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)adamantan-1-amine is CCOCCNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-ethoxyethyl)adamantan-1-amine?
The InChIKey is JXYDFELGTBSBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-16-4-3-15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3.
What are the key properties of N-(2-ethoxyethyl)adamantan-1-amine?
N-(2-ethoxyethyl)adamantan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)adamantan-1-amine is sourced from PubChem (CID 23009188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).