(1S)-2,2-diethyl-1,3-dihydroinden-1-amine

C13H19N — CID 139524434

IUPAC(1S)-2,2-diethyl-1,3-dihydroinden-1-amine
SMILESCCC1(CC)Cc2ccccc2[C@H]1N
InChIInChI=1S/C13H19N/c1-3-13(4-2)9-10-7-5-6-8-11(10)12(13)14/h5-8,12H,3-4,9,14H2,1-2H3/t12-/m1/s1
InChIKeyRWMWMPQYFGNFRB-GFCCVEGCSA-N
MW189.30 g/mol
LogP3.05
Rot. Bonds2

About (1S)-2,2-diethyl-1,3-dihydroinden-1-amine

(1S)-2,2-diethyl-1,3-dihydroinden-1-amine (PubChem CID 139524434) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (1S)-2,2-diethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name(1S)-2,2-diethyl-1,3-dihydroinden-1-amine
PubChem CID139524434
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(1S)-2,2-diethyl-1,3-dihydroinden-1-amine
SMILESCCC1(CC)Cc2ccccc2[C@H]1N
InChIInChI=1S/C13H19N/c1-3-13(4-2)9-10-7-5-6-8-11(10)12(13)14/h5-8,12H,3-4,9,14H2,1-2H3/t12-/m1/s1
InChIKeyRWMWMPQYFGNFRB-GFCCVEGCSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-diethyl-1,3-dihydroinden-1-amine?
The IUPAC name of (1S)-2,2-diethyl-1,3-dihydroinden-1-amine (CID 139524434) is (1S)-2,2-diethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for (1S)-2,2-diethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for (1S)-2,2-diethyl-1,3-dihydroinden-1-amine is CCC1(CC)Cc2ccccc2[C@H]1N.
What is the InChIKey of (1S)-2,2-diethyl-1,3-dihydroinden-1-amine?
The InChIKey is RWMWMPQYFGNFRB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N/c1-3-13(4-2)9-10-7-5-6-8-11(10)12(13)14/h5-8,12H,3-4,9,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (1S)-2,2-diethyl-1,3-dihydroinden-1-amine?
(1S)-2,2-diethyl-1,3-dihydroinden-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-diethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 139524434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).