1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine

C16H23NO2 — CID 117408348

IUPAC1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine
SMILESCc1cc(C2(N)CCCCC2)cc2c1OCCCO2
InChIInChI=1S/C16H23NO2/c1-12-10-13(16(17)6-3-2-4-7-16)11-14-15(12)19-9-5-8-18-14/h10-11H,2-9,17H2,1H3
InChIKeyJUAIJYWSRSFNDU-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.27
Rot. Bonds1

About 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine

1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine (PubChem CID 117408348) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine
PubChem CID117408348
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine
SMILESCc1cc(C2(N)CCCCC2)cc2c1OCCCO2
InChIInChI=1S/C16H23NO2/c1-12-10-13(16(17)6-3-2-4-7-16)11-14-15(12)19-9-5-8-18-14/h10-11H,2-9,17H2,1H3
InChIKeyJUAIJYWSRSFNDU-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine
CID 117338394
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
CID 117464038
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
1-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine
CID 117482710
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
1-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopentan-1-amine
CID 117422901
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methylcyclohexan-1-amine
CID 62788659
(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 117284628
1-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cyclohexan-1-amine
CID 117467764
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine?
The IUPAC name of 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine (CID 117408348) is 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine is Cc1cc(C2(N)CCCCC2)cc2c1OCCCO2.
What is the InChIKey of 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine?
The InChIKey is JUAIJYWSRSFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-10-13(16(17)6-3-2-4-7-16)11-14-15(12)19-9-5-8-18-14/h10-11H,2-9,17H2,1H3.
What are the key properties of 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine?
1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclohexan-1-amine is sourced from PubChem (CID 117408348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).