6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C19H29NO — CID 64745151

IUPAC6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC1CCC(OC2CCCc3ccccc3C2N)CC1C
InChIInChI=1S/C19H29NO/c1-13-10-11-16(12-14(13)2)21-18-9-5-7-15-6-3-4-8-17(15)19(18)20/h3-4,6,8,13-14,16,18-19H,5,7,9-12,20H2,1-2H3
InChIKeyJTZIWTVWULOGLE-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.23
Rot. Bonds2

About 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 64745151) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID64745151
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC1CCC(OC2CCCc3ccccc3C2N)CC1C
InChIInChI=1S/C19H29NO/c1-13-10-11-16(12-14(13)2)21-18-9-5-7-15-6-3-4-8-17(15)19(18)20/h3-4,6,8,13-14,16,18-19H,5,7,9-12,20H2,1-2H3
InChIKeyJTZIWTVWULOGLE-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62141015
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16787660
6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864
2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64745338
6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43183746
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64731805
2-(3,4-dimethylcyclohexyl)oxycyclooctan-1-amine
CID 64747111
6-(2-chloro-4-methylphenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62671113
6-(3,4-dimethoxypyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 103532534
N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357997
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 64745151) is 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CC1CCC(OC2CCCc3ccccc3C2N)CC1C.
What is the InChIKey of 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is JTZIWTVWULOGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-10-11-16(12-14(13)2)21-18-9-5-7-15-6-3-4-8-17(15)19(18)20/h3-4,6,8,13-14,16,18-19H,5,7,9-12,20H2,1-2H3.
What are the key properties of 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 287.45 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 64745151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).