6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine

C18H31N3 — CID 114516610

IUPAC6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCN1CCC(CCn2ccc3c2CC(C)(C)CC3N)CC1
InChIInChI=1S/C18H31N3/c1-18(2)12-16(19)15-7-11-21(17(15)13-18)10-6-14-4-8-20(3)9-5-14/h7,11,14,16H,4-6,8-10,12-13,19H2,1-3H3
InChIKeyXCFWAMFSTRURGP-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.19
Rot. Bonds3

About 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine

6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine (PubChem CID 114516610) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
PubChem CID114516610
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
SMILESCN1CCC(CCn2ccc3c2CC(C)(C)CC3N)CC1
InChIInChI=1S/C18H31N3/c1-18(2)12-16(19)15-7-11-21(17(15)13-18)10-6-14-4-8-20(3)9-5-14/h7,11,14,16H,4-6,8-10,12-13,19H2,1-3H3
InChIKeyXCFWAMFSTRURGP-UHFFFAOYSA-N
XLogP3.19
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine (CID 114516610) is 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine is CN1CCC(CCn2ccc3c2CC(C)(C)CC3N)CC1.
What is the InChIKey of 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
The InChIKey is XCFWAMFSTRURGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(2)12-16(19)15-7-11-21(17(15)13-18)10-6-14-4-8-20(3)9-5-14/h7,11,14,16H,4-6,8-10,12-13,19H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine?
6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine has a molecular weight of 289.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 114516610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).