7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine

C13H26N2 — CID 166684445

IUPAC7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine
SMILESCC1CC(CN)C2CC(C)(C)CC2C1N
InChIInChI=1S/C13H26N2/c1-8-4-9(7-14)10-5-13(2,3)6-11(10)12(8)15/h8-12H,4-7,14-15H2,1-3H3
InChIKeyMNZVHYJPFPXITB-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.98
Rot. Bonds1

About 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine

7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine (PubChem CID 166684445) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine.

Molecular Properties

Compound Name7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine
PubChem CID166684445
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine
SMILESCC1CC(CN)C2CC(C)(C)CC2C1N
InChIInChI=1S/C13H26N2/c1-8-4-9(7-14)10-5-13(2,3)6-11(10)12(8)15/h8-12H,4-7,14-15H2,1-3H3
InChIKeyMNZVHYJPFPXITB-UHFFFAOYSA-N
XLogP1.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine?
The IUPAC name of 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine (CID 166684445) is 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine.
What is the SMILES notation for 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine?
The canonical SMILES for 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine is CC1CC(CN)C2CC(C)(C)CC2C1N.
What is the InChIKey of 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine?
The InChIKey is MNZVHYJPFPXITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-8-4-9(7-14)10-5-13(2,3)6-11(10)12(8)15/h8-12H,4-7,14-15H2,1-3H3.
What are the key properties of 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine?
7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine has a molecular weight of 210.36 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-2,2,5-trimethyl-1,3,3a,4,5,6,7,7a-octahydroinden-4-amine is sourced from PubChem (CID 166684445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).