3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine

C17H28N2 — CID 18179325

IUPAC3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine
SMILESCC(C)c1c(N)c(C(C)C)c2c(c1N)C(C)(C)CC2
InChIInChI=1S/C17H28N2/c1-9(2)12-11-7-8-17(5,6)14(11)16(19)13(10(3)4)15(12)18/h9-10H,7-8,18-19H2,1-6H3
InChIKeyXTHQKYIKMOLYNN-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.32
Rot. Bonds2

About 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine

3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine (PubChem CID 18179325) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine.

Molecular Properties

Compound Name3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine
PubChem CID18179325
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine
SMILESCC(C)c1c(N)c(C(C)C)c2c(c1N)C(C)(C)CC2
InChIInChI=1S/C17H28N2/c1-9(2)12-11-7-8-17(5,6)14(11)16(19)13(10(3)4)15(12)18/h9-10H,7-8,18-19H2,1-6H3
InChIKeyXTHQKYIKMOLYNN-UHFFFAOYSA-N
XLogP4.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine?
The IUPAC name of 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine (CID 18179325) is 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine.
What is the SMILES notation for 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine?
The canonical SMILES for 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine is CC(C)c1c(N)c(C(C)C)c2c(c1N)C(C)(C)CC2.
What is the InChIKey of 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine?
The InChIKey is XTHQKYIKMOLYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-9(2)12-11-7-8-17(5,6)14(11)16(19)13(10(3)4)15(12)18/h9-10H,7-8,18-19H2,1-6H3.
What are the key properties of 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine?
3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine has a molecular weight of 260.43 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5,7-di(propan-2-yl)-1,2-dihydroindene-4,6-diamine is sourced from PubChem (CID 18179325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).