N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine

C13H25N — CID 59574289

IUPACN-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
SMILESCC(C)(C)NC1CCC2CCCC2C1
InChIInChI=1S/C13H25N/c1-13(2,3)14-12-8-7-10-5-4-6-11(10)9-12/h10-12,14H,4-9H2,1-3H3
InChIKeyLUUCPOYEELEANW-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds1

About N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine

N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine (PubChem CID 59574289) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
PubChem CID59574289
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine
SMILESCC(C)(C)NC1CCC2CCCC2C1
InChIInChI=1S/C13H25N/c1-13(2,3)14-12-8-7-10-5-4-6-11(10)9-12/h10-12,14H,4-9H2,1-3H3
InChIKeyLUUCPOYEELEANW-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
The IUPAC name of N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine (CID 59574289) is N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine.
What is the SMILES notation for N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
The canonical SMILES for N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine is CC(C)(C)NC1CCC2CCCC2C1.
What is the InChIKey of N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
The InChIKey is LUUCPOYEELEANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-13(2,3)14-12-8-7-10-5-4-6-11(10)9-12/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine?
N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-amine is sourced from PubChem (CID 59574289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).