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

C15H21ClN2O — CID 119673091

IUPAC(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C15H20N2O.ClH/c16-13-6-3-5-12(10-13)15(18)17-9-8-11-4-1-2-7-14(11)17;/h1-2,4,7,12-13H,3,5-6,8-10,16H2;1H
InChIKeyVOJZPODPZYSZCX-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.52
Rot. Bonds1

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

(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride (PubChem CID 119673091) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
PubChem CID119673091
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C15H20N2O.ClH/c16-13-6-3-5-12(10-13)15(18)17-9-8-11-4-1-2-7-14(11)17;/h1-2,4,7,12-13H,3,5-6,8-10,16H2;1H
InChIKeyVOJZPODPZYSZCX-UHFFFAOYSA-N
XLogP2.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788766
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
(3-aminocyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119669433
(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119788761
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
1-(3-aminocyclohexanecarbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 119696140
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
(1-cyclopropylsulfonylazetidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 90513387
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564569
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride (CID 119673091) is (3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride is Cl.NC1CCCC(C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of (3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride?
The InChIKey is VOJZPODPZYSZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c16-13-6-3-5-12(10-13)15(18)17-9-8-11-4-1-2-7-14(11)17;/h1-2,4,7,12-13H,3,5-6,8-10,16H2;1H.
What are the key properties of (3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride?
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119673091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).