3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine

C14H22N2 — CID 18179346

IUPAC3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine
SMILESCC(C)c1c(N)cc2c(c1N)C(C)(C)CC2
InChIInChI=1S/C14H22N2/c1-8(2)11-10(15)7-9-5-6-14(3,4)12(9)13(11)16/h7-8H,5-6,15-16H2,1-4H3
InChIKeyDCHMRHYXBWXFJP-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.20
Rot. Bonds1

About 3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine

3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine (PubChem CID 18179346) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine.

Molecular Properties

Compound Name3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine
PubChem CID18179346
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine
SMILESCC(C)c1c(N)cc2c(c1N)C(C)(C)CC2
InChIInChI=1S/C14H22N2/c1-8(2)11-10(15)7-9-5-6-14(3,4)12(9)13(11)16/h7-8H,5-6,15-16H2,1-4H3
InChIKeyDCHMRHYXBWXFJP-UHFFFAOYSA-N
XLogP3.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.20
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-propan-2-yl-1,2-dihydroindene-4,6-diamine?
The IUPAC name of 3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine (CID 18179346) is 3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine.
What is the SMILES notation for 3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine?
The canonical SMILES for 3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine is CC(C)c1c(N)cc2c(c1N)C(C)(C)CC2.
What is the InChIKey of 3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine?
The InChIKey is DCHMRHYXBWXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-8(2)11-10(15)7-9-5-6-14(3,4)12(9)13(11)16/h7-8H,5-6,15-16H2,1-4H3.
What are the key properties of 3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine?
3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-propan-2-yl-1,2-dihydroindene-4,6-diamine is sourced from PubChem (CID 18179346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).