[1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine

C11H22N2 — CID 69411723

IUPAC[1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine
SMILESNCC1CC2CCCCC2C1CN
InChIInChI=1S/C11H22N2/c12-6-9-5-8-3-1-2-4-10(8)11(9)7-13/h8-11H,1-7,12-13H2
InChIKeyBAJRUKVVTRZIJA-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.35
Rot. Bonds2

About [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine

[1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine (PubChem CID 69411723) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine
PubChem CID69411723
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name[1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine
SMILESNCC1CC2CCCCC2C1CN
InChIInChI=1S/C11H22N2/c12-6-9-5-8-3-1-2-4-10(8)11(9)7-13/h8-11H,1-7,12-13H2
InChIKeyBAJRUKVVTRZIJA-UHFFFAOYSA-N
XLogP1.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine?
The IUPAC name of [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine (CID 69411723) is [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine.
What is the SMILES notation for [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine?
The canonical SMILES for [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine is NCC1CC2CCCCC2C1CN.
What is the InChIKey of [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine?
The InChIKey is BAJRUKVVTRZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c12-6-9-5-8-3-1-2-4-10(8)11(9)7-13/h8-11H,1-7,12-13H2.
What are the key properties of [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine?
[1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine is sourced from PubChem (CID 69411723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).