2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine

C15H23N — CID 142113085

IUPAC2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine
SMILESCCC1(CCN(C)C)CCc2ccccc21
InChIInChI=1S/C15H23N/c1-4-15(11-12-16(2)3)10-9-13-7-5-6-8-14(13)15/h5-8H,4,9-12H2,1-3H3
InChIKeyNIXHEKQVAPSPAC-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.23
Rot. Bonds4

About 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine

2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine (PubChem CID 142113085) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine
PubChem CID142113085
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine
SMILESCCC1(CCN(C)C)CCc2ccccc21
InChIInChI=1S/C15H23N/c1-4-15(11-12-16(2)3)10-9-13-7-5-6-8-14(13)15/h5-8H,4,9-12H2,1-3H3
InChIKeyNIXHEKQVAPSPAC-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine (CID 142113085) is 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine is CCC1(CCN(C)C)CCc2ccccc21.
What is the InChIKey of 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine?
The InChIKey is NIXHEKQVAPSPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-15(11-12-16(2)3)10-9-13-7-5-6-8-14(13)15/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine?
2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2,3-dihydroinden-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 142113085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).