1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine

C14H21N — CID 130429507

IUPAC1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine
SMILESCc1c(C)c(C)c2c(c1C)CCC2(C)N
InChIInChI=1S/C14H21N/c1-8-9(2)11(4)13-12(10(8)3)6-7-14(13,5)15/h6-7,15H2,1-5H3
InChIKeyIODUNXQXFYXRAT-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.04
Rot. Bonds

About 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine

1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine (PubChem CID 130429507) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine
PubChem CID130429507
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine
SMILESCc1c(C)c(C)c2c(c1C)CCC2(C)N
InChIInChI=1S/C14H21N/c1-8-9(2)11(4)13-12(10(8)3)6-7-14(13,5)15/h6-7,15H2,1-5H3
InChIKeyIODUNXQXFYXRAT-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine?
The IUPAC name of 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine (CID 130429507) is 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine?
The canonical SMILES for 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine is Cc1c(C)c(C)c2c(c1C)CCC2(C)N.
What is the InChIKey of 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine?
The InChIKey is IODUNXQXFYXRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-8-9(2)11(4)13-12(10(8)3)6-7-14(13,5)15/h6-7,15H2,1-5H3.
What are the key properties of 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine?
1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7-pentamethyl-2,3-dihydroinden-1-amine is sourced from PubChem (CID 130429507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).