6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C18H29NO — CID 66234040

IUPAC6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1c2ccccc2CCCC1OCCC(C)(C)C
InChIInChI=1S/C18H29NO/c1-18(2,3)12-13-20-16-11-7-9-14-8-5-6-10-15(14)17(16)19-4/h5-6,8,10,16-17,19H,7,9,11-13H2,1-4H3
InChIKeyARHCRBMBUVYPEI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.10
Rot. Bonds4

About 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 66234040) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID66234040
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1c2ccccc2CCCC1OCCC(C)(C)C
InChIInChI=1S/C18H29NO/c1-18(2,3)12-13-20-16-11-7-9-14-8-5-6-10-15(14)17(16)19-4/h5-6,8,10,16-17,19H,7,9,11-13H2,1-4H3
InChIKeyARHCRBMBUVYPEI-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3,3-dimethylbutoxy)-N-methyl-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

6-(2-cyclopropylethoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106200554
N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106447263
2-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665401
N-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82788201
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63686004
N-ethyl-2-(3-methoxy-3-methylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665345
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
7-methoxy-N-methyl-2-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82960676
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103401891
6-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63696126
N-methyl-6-(3-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63191536

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 66234040) is 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CNC1c2ccccc2CCCC1OCCC(C)(C)C.
What is the InChIKey of 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is ARHCRBMBUVYPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)12-13-20-16-11-7-9-14-8-5-6-10-15(14)17(16)19-4/h5-6,8,10,16-17,19H,7,9,11-13H2,1-4H3.
What are the key properties of 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 275.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 66234040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).