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

C12H23N — CID 67630262

IUPAC1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine
SMILESCC1CC(C)(C)C2CCCC(N)C12
InChIInChI=1S/C12H23N/c1-8-7-12(2,3)9-5-4-6-10(13)11(8)9/h8-11H,4-7,13H2,1-3H3
InChIKeyWTZWCIWZBXTJMG-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.80
Rot. Bonds

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

1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine (PubChem CID 67630262) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine.

Molecular Properties

Compound Name1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine
PubChem CID67630262
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine
SMILESCC1CC(C)(C)C2CCCC(N)C12
InChIInChI=1S/C12H23N/c1-8-7-12(2,3)9-5-4-6-10(13)11(8)9/h8-11H,4-7,13H2,1-3H3
InChIKeyWTZWCIWZBXTJMG-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine?
The IUPAC name of 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine (CID 67630262) is 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine.
What is the SMILES notation for 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine?
The canonical SMILES for 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine is CC1CC(C)(C)C2CCCC(N)C12.
What is the InChIKey of 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine?
The InChIKey is WTZWCIWZBXTJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8-7-12(2,3)9-5-4-6-10(13)11(8)9/h8-11H,4-7,13H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine?
1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine has a molecular weight of 181.32 g/mol, XLogP of 2.80, 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-2,3,3a,4,5,6,7,7a-octahydroinden-4-amine is sourced from PubChem (CID 67630262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).