6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C19H30N2 — CID 62331774

IUPAC6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1c2ccccc2CCCC1N1CCC(C)CC1C
InChIInChI=1S/C19H30N2/c1-14-11-12-21(15(2)13-14)18-10-6-8-16-7-4-5-9-17(16)19(18)20-3/h4-5,7,9,14-15,18-20H,6,8,10-13H2,1-3H3
InChIKeyFPVAAWOSFUJALT-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.77
Rot. Bonds2

About 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 62331774) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID62331774
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1c2ccccc2CCCC1N1CCC(C)CC1C
InChIInChI=1S/C19H30N2/c1-14-11-12-21(15(2)13-14)18-10-6-8-16-7-4-5-9-17(16)19(18)20-3/h4-5,7,9,14-15,18-20H,6,8,10-13H2,1-3H3
InChIKeyFPVAAWOSFUJALT-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62331020
(11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
CID 12967038
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879
2-(2,4-dimethylpiperidin-1-yl)-N,4-dimethylcyclohexan-1-amine
CID 62331950
2-(3-methoxypyrrolidin-1-yl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103532366
2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 135003203
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
5-bromo-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514780
7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62943533
6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 66234040
6-(2-cyclopropylethoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106200554
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 62331774) is 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CNC1c2ccccc2CCCC1N1CCC(C)CC1C.
What is the InChIKey of 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is FPVAAWOSFUJALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-11-12-21(15(2)13-14)18-10-6-8-16-7-4-5-9-17(16)19(18)20-3/h4-5,7,9,14-15,18-20H,6,8,10-13H2,1-3H3.
What are the key properties of 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 286.46 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpiperidin-1-yl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 62331774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).