1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine

C11H17N — CID 89073832

IUPAC1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine
SMILESCC1C=C(N)C=C2CCC(C)C21
InChIInChI=1S/C11H17N/c1-7-3-4-9-6-10(12)5-8(2)11(7)9/h5-8,11H,3-4,12H2,1-2H3
InChIKeyUSWAORCKHXUBOE-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.45
Rot. Bonds

About 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine

1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine (PubChem CID 89073832) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine.

Molecular Properties

Compound Name1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine
PubChem CID89073832
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine
SMILESCC1C=C(N)C=C2CCC(C)C21
InChIInChI=1S/C11H17N/c1-7-3-4-9-6-10(12)5-8(2)11(7)9/h5-8,11H,3-4,12H2,1-2H3
InChIKeyUSWAORCKHXUBOE-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine?
The IUPAC name of 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine (CID 89073832) is 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine.
What is the SMILES notation for 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine?
The canonical SMILES for 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine is CC1C=C(N)C=C2CCC(C)C21.
What is the InChIKey of 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine?
The InChIKey is USWAORCKHXUBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-7-3-4-9-6-10(12)5-8(2)11(7)9/h5-8,11H,3-4,12H2,1-2H3.
What are the key properties of 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine?
1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine has a molecular weight of 163.26 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,3,7,7a-tetrahydro-1H-inden-5-amine is sourced from PubChem (CID 89073832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).