N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine

C12H19N — CID 58618049

IUPACN-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine
SMILESCC(C)NC1=CC2=C(CCCC2)C1
InChIInChI=1S/C12H19N/c1-9(2)13-12-7-10-5-3-4-6-11(10)8-12/h7,9,13H,3-6,8H2,1-2H3
InChIKeyLGONIFODKLDYDC-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.14
Rot. Bonds2

About N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine

N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine (PubChem CID 58618049) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine
PubChem CID58618049
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine
SMILESCC(C)NC1=CC2=C(CCCC2)C1
InChIInChI=1S/C12H19N/c1-9(2)13-12-7-10-5-3-4-6-11(10)8-12/h7,9,13H,3-6,8H2,1-2H3
InChIKeyLGONIFODKLDYDC-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine?
The IUPAC name of N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine (CID 58618049) is N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine.
What is the SMILES notation for N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine?
The canonical SMILES for N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine is CC(C)NC1=CC2=C(CCCC2)C1.
What is the InChIKey of N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine?
The InChIKey is LGONIFODKLDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)13-12-7-10-5-3-4-6-11(10)8-12/h7,9,13H,3-6,8H2,1-2H3.
What are the key properties of N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine?
N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine has a molecular weight of 177.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-amine is sourced from PubChem (CID 58618049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).