1,1,3-trimethyl-2,3-dihydroinden-4-amine

C12H17N — CID 11217541

IUPAC1,1,3-trimethyl-2,3-dihydroinden-4-amine
SMILESCC1CC(C)(C)c2cccc(N)c21
InChIInChI=1S/C12H17N/c1-8-7-12(2,3)9-5-4-6-10(13)11(8)9/h4-6,8H,7,13H2,1-3H3
InChIKeyKYWYAWFSWFSPAY-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.05
Rot. Bonds

About 1,1,3-trimethyl-2,3-dihydroinden-4-amine

1,1,3-trimethyl-2,3-dihydroinden-4-amine (PubChem CID 11217541) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1,1,3-trimethyl-2,3-dihydroinden-4-amine.

Molecular Properties

Compound Name1,1,3-trimethyl-2,3-dihydroinden-4-amine
PubChem CID11217541
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1,1,3-trimethyl-2,3-dihydroinden-4-amine
SMILESCC1CC(C)(C)c2cccc(N)c21
InChIInChI=1S/C12H17N/c1-8-7-12(2,3)9-5-4-6-10(13)11(8)9/h4-6,8H,7,13H2,1-3H3
InChIKeyKYWYAWFSWFSPAY-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.05
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 1,1,3-trimethyl-2,3-dihydroinden-4-amine?
The IUPAC name of 1,1,3-trimethyl-2,3-dihydroinden-4-amine (CID 11217541) is 1,1,3-trimethyl-2,3-dihydroinden-4-amine.
What is the SMILES notation for 1,1,3-trimethyl-2,3-dihydroinden-4-amine?
The canonical SMILES for 1,1,3-trimethyl-2,3-dihydroinden-4-amine is CC1CC(C)(C)c2cccc(N)c21.
What is the InChIKey of 1,1,3-trimethyl-2,3-dihydroinden-4-amine?
The InChIKey is KYWYAWFSWFSPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8-7-12(2,3)9-5-4-6-10(13)11(8)9/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-2,3-dihydroinden-4-amine?
1,1,3-trimethyl-2,3-dihydroinden-4-amine has a molecular weight of 175.28 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-2,3-dihydroinden-4-amine is sourced from PubChem (CID 11217541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).