1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine

C16H25N — CID 65412071

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)C1Cc2ccccc2C1
InChIInChI=1S/C16H25N/c1-16(2,3)9-8-15(17)14-10-12-6-4-5-7-13(12)11-14/h4-7,14-15H,8-11,17H2,1-3H3
InChIKeyZMIKVMCDRJRHLL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.56
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine

1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine (PubChem CID 65412071) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine
PubChem CID65412071
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CCC(N)C1Cc2ccccc2C1
InChIInChI=1S/C16H25N/c1-16(2,3)9-8-15(17)14-10-12-6-4-5-7-13(12)11-14/h4-7,14-15H,8-11,17H2,1-3H3
InChIKeyZMIKVMCDRJRHLL-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine (CID 65412071) is 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine is CC(C)(C)CCC(N)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is ZMIKVMCDRJRHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)9-8-15(17)14-10-12-6-4-5-7-13(12)11-14/h4-7,14-15H,8-11,17H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 65412071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).