(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone

C16H28N2O — CID 119784899

IUPAC(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)C1CCCC(N)C1
InChIInChI=1S/C16H28N2O/c1-11-9-12-5-2-3-8-15(12)18(11)16(19)13-6-4-7-14(17)10-13/h11-15H,2-10,17H2,1H3
InChIKeyNPJSXVWCIMYTTD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.68
Rot. Bonds1

About (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone

(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone (PubChem CID 119784899) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
PubChem CID119784899
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)C1CCCC(N)C1
InChIInChI=1S/C16H28N2O/c1-11-9-12-5-2-3-8-15(12)18(11)16(19)13-6-4-7-14(17)10-13/h11-15H,2-10,17H2,1H3
InChIKeyNPJSXVWCIMYTTD-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone (CID 119784899) is (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone is CC1CC2CCCCC2N1C(=O)C1CCCC(N)C1.
What is the InChIKey of (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The InChIKey is NPJSXVWCIMYTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-9-12-5-2-3-8-15(12)18(11)16(19)13-6-4-7-14(17)10-13/h11-15H,2-10,17H2,1H3.
What are the key properties of (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
(3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone has a molecular weight of 264.41 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone is sourced from PubChem (CID 119784899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).