(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride

C16H23ClN2O — CID 119669433

IUPAC(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCC1Cc2ccccc2N1C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-11-9-12-5-2-3-8-15(12)18(11)16(19)13-6-4-7-14(17)10-13;/h2-3,5,8,11,13-14H,4,6-7,9-10,17H2,1H3;1H
InChIKeyPKVQYKGTGBJSIC-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.90
Rot. Bonds1

About (3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride

(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride (PubChem CID 119669433) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
PubChem CID119669433
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCC1Cc2ccccc2N1C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-11-9-12-5-2-3-8-15(12)18(11)16(19)13-6-4-7-14(17)10-13;/h2-3,5,8,11,13-14H,4,6-7,9-10,17H2,1H3;1H
InChIKeyPKVQYKGTGBJSIC-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.90
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-dihydroindol-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride (CID 119669433) is (3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride is CC1Cc2ccccc2N1C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of (3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The InChIKey is PKVQYKGTGBJSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-11-9-12-5-2-3-8-15(12)18(11)16(19)13-6-4-7-14(17)10-13;/h2-3,5,8,11,13-14H,4,6-7,9-10,17H2,1H3;1H.
What are the key properties of (3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.90, 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-dihydroindol-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119669433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).