N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine

C13H19NO — CID 82814561

IUPACN-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCONC1c2ccccc2CC1(C)C
InChIInChI=1S/C13H19NO/c1-4-15-14-12-11-8-6-5-7-10(11)9-13(12,2)3/h5-8,12,14H,4,9H2,1-3H3
InChIKeyLOSHFWGNCBMQNT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.85
Rot. Bonds3

About N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine

N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82814561) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82814561
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCONC1c2ccccc2CC1(C)C
InChIInChI=1S/C13H19NO/c1-4-15-14-12-11-8-6-5-7-10(11)9-13(12,2)3/h5-8,12,14H,4,9H2,1-3H3
InChIKeyLOSHFWGNCBMQNT-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82814561) is N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine is CCONC1c2ccccc2CC1(C)C.
What is the InChIKey of N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is LOSHFWGNCBMQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-15-14-12-11-8-6-5-7-10(11)9-13(12,2)3/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82814561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).