N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine

C16H19NO2S — CID 115480588

IUPACN-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)sc2cc3c(cc12)OCCCO3
InChIInChI=1S/C16H19NO2S/c1-10-12-7-13-14(19-6-2-5-18-13)8-15(12)20-16(10)9-17-11-3-4-11/h7-8,11,17H,2-6,9H2,1H3
InChIKeyPRNHQZKJDZHEGF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.62
Rot. Bonds3

About N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine

N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine (PubChem CID 115480588) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine
PubChem CID115480588
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)sc2cc3c(cc12)OCCCO3
InChIInChI=1S/C16H19NO2S/c1-10-12-7-13-14(19-6-2-5-18-13)8-15(12)20-16(10)9-17-11-3-4-11/h7-8,11,17H,2-6,9H2,1H3
InChIKeyPRNHQZKJDZHEGF-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 81048147
N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972330
N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972146
1-(9-tert-butyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)-N-methylmethanamine
CID 114378456
N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine
CID 114378449
(9-ethyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine
CID 113459908
N-[1-(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)ethyl]propan-1-amine
CID 115479896
N-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61282341
N-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-ylmethyl)cyclopropanamine
CID 60834882
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
(8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine
CID 114378429
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139

Frequently Asked Questions

What is the IUPAC name of N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine (CID 115480588) is N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine is Cc1c(CNC2CC2)sc2cc3c(cc12)OCCCO3.
What is the InChIKey of N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine?
The InChIKey is PRNHQZKJDZHEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-10-12-7-13-14(19-6-2-5-18-13)8-15(12)20-16(10)9-17-11-3-4-11/h7-8,11,17H,2-6,9H2,1H3.
What are the key properties of N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine?
N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine has a molecular weight of 289.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine is sourced from PubChem (CID 115480588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).