[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine

C16H24N2O — CID 65044746

IUPAC[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine
SMILESCC1CCCC1(CN)N1CCOc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-13-5-4-8-16(13,12-17)18-9-10-19-15-7-3-2-6-14(15)11-18/h2-3,6-7,13H,4-5,8-12,17H2,1H3
InChIKeyQFFQRUVLQIRTLU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.40
Rot. Bonds2

About [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine

[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine (PubChem CID 65044746) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine
PubChem CID65044746
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine
SMILESCC1CCCC1(CN)N1CCOc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-13-5-4-8-16(13,12-17)18-9-10-19-15-7-3-2-6-14(15)11-18/h2-3,6-7,13H,4-5,8-12,17H2,1H3
InChIKeyQFFQRUVLQIRTLU-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclohexyl]methanamine
CID 63154951
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103562896
[4-(1,3-dihydroisoindol-2-yl)-3-methyloxan-4-yl]methanamine
CID 114240547
[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79953997
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine
CID 113313048
[2-(1,3-dihydroisoindol-2-yl)-2-bicyclo[4.1.0]heptanyl]methanamine
CID 112740240
[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine
CID 65045663
1-[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 63192686
[1-(2,2-dimethylmorpholin-4-yl)-2-methylcyclohexyl]methanamine
CID 43592649
[1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylcyclopentyl]methanamine
CID 65045661
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine
CID 65247542
[1-(4-cyclopropylpiperazin-1-yl)-2-methylcyclohexyl]methanamine
CID 61440866

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine?
The IUPAC name of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine (CID 65044746) is [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine?
The canonical SMILES for [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine is CC1CCCC1(CN)N1CCOc2ccccc2C1.
What is the InChIKey of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine?
The InChIKey is QFFQRUVLQIRTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-4-8-16(13,12-17)18-9-10-19-15-7-3-2-6-14(15)11-18/h2-3,6-7,13H,4-5,8-12,17H2,1H3.
What are the key properties of [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine?
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine has a molecular weight of 260.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylcyclopentyl]methanamine is sourced from PubChem (CID 65044746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).