6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H26N2 — CID 63219890

IUPAC6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC1(C)CCCN1C1CCCc2ccccc2C1N
InChIInChI=1S/C17H26N2/c1-17(2)11-6-12-19(17)15-10-5-8-13-7-3-4-9-14(13)16(15)18/h3-4,7,9,15-16H,5-6,8,10-12,18H2,1-2H3
InChIKeyAOTFKFFSCZGDJY-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.27
Rot. Bonds1

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

6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63219890) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63219890
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC1(C)CCCN1C1CCCc2ccccc2C1N
InChIInChI=1S/C17H26N2/c1-17(2)11-6-12-19(17)15-10-5-8-13-7-3-4-9-14(13)16(15)18/h3-4,7,9,15-16H,5-6,8,10-12,18H2,1-2H3
InChIKeyAOTFKFFSCZGDJY-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,4-dimethylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65281364
6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923
6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103532534
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
2-(2,2-dimethylpyrrolidin-1-yl)cyclopentan-1-amine
CID 63220033
4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938983
6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 81058338
2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62204652
(11S,11aS)-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
CID 54082330
6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783124
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 120772403
2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine
CID 65461092

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63219890) is 6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CC1(C)CCCN1C1CCCc2ccccc2C1N.
What is the InChIKey of 6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is AOTFKFFSCZGDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(2)11-6-12-19(17)15-10-5-8-13-7-3-4-9-14(13)16(15)18/h3-4,7,9,15-16H,5-6,8,10-12,18H2,1-2H3.
What are the key properties of 6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 258.41 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63219890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).