2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine

C16H23NO2 — CID 62801780

IUPAC2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H23NO2/c1-17-14-6-3-2-5-13(14)12-7-8-15-16(11-12)19-10-4-9-18-15/h7-8,11,13-14,17H,2-6,9-10H2,1H3
InChIKeyYLKSGCAYECXPKQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.09
Rot. Bonds2

About 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine (PubChem CID 62801780) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
PubChem CID62801780
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H23NO2/c1-17-14-6-3-2-5-13(14)12-7-8-15-16(11-12)19-10-4-9-18-15/h7-8,11,13-14,17H,2-6,9-10H2,1H3
InChIKeyYLKSGCAYECXPKQ-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
CID 62801783
5-[(1R,2R)-2-methylcyclohexyl]-1,3-benzodioxole
CID 50930797
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine
CID 82295861
2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine
CID 114605834
2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
CID 62801613
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclobutan-1-amine
CID 81415516
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81021879
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-methylcycloheptan-1-amine
CID 115479179
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
CID 107290018
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cycloheptane-1-carboxylic acid
CID 81008996
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethylpyrrolidin-2-one
CID 66106342

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine (CID 62801780) is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine is CNC1CCCCC1c1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine?
The InChIKey is YLKSGCAYECXPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-14-6-3-2-5-13(14)12-7-8-15-16(11-12)19-10-4-9-18-15/h7-8,11,13-14,17H,2-6,9-10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine?
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62801780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).