3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine

C16H27N3 — CID 71120181

IUPAC3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine
SMILESCN1CCC(N2CC(C)(C)C3C=CC(N)=CC32)CC1
InChIInChI=1S/C16H27N3/c1-16(2)11-19(13-6-8-18(3)9-7-13)15-10-12(17)4-5-14(15)16/h4-5,10,13-15H,6-9,11,17H2,1-3H3
InChIKeyIZWDPYFLEWTGDB-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.82
Rot. Bonds1

About 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine

3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine (PubChem CID 71120181) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine
PubChem CID71120181
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine
SMILESCN1CCC(N2CC(C)(C)C3C=CC(N)=CC32)CC1
InChIInChI=1S/C16H27N3/c1-16(2)11-19(13-6-8-18(3)9-7-13)15-10-12(17)4-5-14(15)16/h4-5,10,13-15H,6-9,11,17H2,1-3H3
InChIKeyIZWDPYFLEWTGDB-UHFFFAOYSA-N
XLogP1.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine?
The IUPAC name of 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine (CID 71120181) is 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine?
The canonical SMILES for 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine is CN1CCC(N2CC(C)(C)C3C=CC(N)=CC32)CC1.
What is the InChIKey of 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine?
The InChIKey is IZWDPYFLEWTGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2)11-19(13-6-8-18(3)9-7-13)15-10-12(17)4-5-14(15)16/h4-5,10,13-15H,6-9,11,17H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine?
3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine has a molecular weight of 261.41 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-methylpiperidin-4-yl)-3a,7a-dihydro-2H-indol-6-amine is sourced from PubChem (CID 71120181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).