N-ethoxyadamantan-2-amine

C12H21NO — CID 82709877

IUPACN-ethoxyadamantan-2-amine
SMILESCCONC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO/c1-2-14-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,2-7H2,1H3
InChIKeyORDTWDPPWKHWQD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.35
Rot. Bonds3

About N-ethoxyadamantan-2-amine

N-ethoxyadamantan-2-amine (PubChem CID 82709877) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethoxyadamantan-2-amine.

Molecular Properties

Compound NameN-ethoxyadamantan-2-amine
PubChem CID82709877
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-ethoxyadamantan-2-amine
SMILESCCONC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO/c1-2-14-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,2-7H2,1H3
InChIKeyORDTWDPPWKHWQD-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethoxyadamantan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethoxyadamantan-2-amine?
The IUPAC name of N-ethoxyadamantan-2-amine (CID 82709877) is N-ethoxyadamantan-2-amine.
What is the SMILES notation for N-ethoxyadamantan-2-amine?
The canonical SMILES for N-ethoxyadamantan-2-amine is CCONC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-ethoxyadamantan-2-amine?
The InChIKey is ORDTWDPPWKHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-14-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,2-7H2,1H3.
What are the key properties of N-ethoxyadamantan-2-amine?
N-ethoxyadamantan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyadamantan-2-amine is sourced from PubChem (CID 82709877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).