(4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone

C19H29N3O2 — CID 22591409

IUPAC(4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone
SMILESCN(C)CCOc1ccc2c(c1)CCN2C(=O)C1CCC(N)CC1
InChIInChI=1S/C19H29N3O2/c1-21(2)11-12-24-17-7-8-18-15(13-17)9-10-22(18)19(23)14-3-5-16(20)6-4-14/h7-8,13-14,16H,3-6,9-12,20H2,1-2H3
InChIKeyMUILJIYMZZPJHO-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.03
Rot. Bonds5

About (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone

(4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone (PubChem CID 22591409) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone
PubChem CID22591409
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone
SMILESCN(C)CCOc1ccc2c(c1)CCN2C(=O)C1CCC(N)CC1
InChIInChI=1S/C19H29N3O2/c1-21(2)11-12-24-17-7-8-18-15(13-17)9-10-22(18)19(23)14-3-5-16(20)6-4-14/h7-8,13-14,16H,3-6,9-12,20H2,1-2H3
InChIKeyMUILJIYMZZPJHO-UHFFFAOYSA-N
XLogP2.03
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone (CID 22591409) is (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone is CN(C)CCOc1ccc2c(c1)CCN2C(=O)C1CCC(N)CC1.
What is the InChIKey of (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone?
The InChIKey is MUILJIYMZZPJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(2)11-12-24-17-7-8-18-15(13-17)9-10-22(18)19(23)14-3-5-16(20)6-4-14/h7-8,13-14,16H,3-6,9-12,20H2,1-2H3.
What are the key properties of (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone?
(4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-[5-[2-(dimethylamino)ethoxy]-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 22591409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).