2-ethyl-1,1-dimethylinden-4-amine

C13H17N — CID 141408468

IUPAC2-ethyl-1,1-dimethylinden-4-amine
SMILESCCC1=Cc2c(N)cccc2C1(C)C
InChIInChI=1S/C13H17N/c1-4-9-8-10-11(13(9,2)3)6-5-7-12(10)14/h5-8H,4,14H2,1-3H3
InChIKeyRBVXDVPOBDQNMW-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.35
Rot. Bonds1

About 2-ethyl-1,1-dimethylinden-4-amine

2-ethyl-1,1-dimethylinden-4-amine (PubChem CID 141408468) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-ethyl-1,1-dimethylinden-4-amine.

Molecular Properties

Compound Name2-ethyl-1,1-dimethylinden-4-amine
PubChem CID141408468
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-ethyl-1,1-dimethylinden-4-amine
SMILESCCC1=Cc2c(N)cccc2C1(C)C
InChIInChI=1S/C13H17N/c1-4-9-8-10-11(13(9,2)3)6-5-7-12(10)14/h5-8H,4,14H2,1-3H3
InChIKeyRBVXDVPOBDQNMW-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1-dimethylinden-4-amine?
The IUPAC name of 2-ethyl-1,1-dimethylinden-4-amine (CID 141408468) is 2-ethyl-1,1-dimethylinden-4-amine.
What is the SMILES notation for 2-ethyl-1,1-dimethylinden-4-amine?
The canonical SMILES for 2-ethyl-1,1-dimethylinden-4-amine is CCC1=Cc2c(N)cccc2C1(C)C.
What is the InChIKey of 2-ethyl-1,1-dimethylinden-4-amine?
The InChIKey is RBVXDVPOBDQNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-9-8-10-11(13(9,2)3)6-5-7-12(10)14/h5-8H,4,14H2,1-3H3.
What are the key properties of 2-ethyl-1,1-dimethylinden-4-amine?
2-ethyl-1,1-dimethylinden-4-amine has a molecular weight of 187.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1-dimethylinden-4-amine is sourced from PubChem (CID 141408468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).