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

C16H21NO2S — CID 114378449

IUPACN-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine
SMILESCCCc1c(CNC)sc2cc3c(cc12)OCCCO3
InChIInChI=1S/C16H21NO2S/c1-3-5-11-12-8-13-14(19-7-4-6-18-13)9-15(12)20-16(11)10-17-2/h8-9,17H,3-7,10H2,1-2H3
InChIKeyLNKBCAXEWWTDOE-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.73
Rot. Bonds4

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

N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine (PubChem CID 114378449) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine
PubChem CID114378449
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine
SMILESCCCc1c(CNC)sc2cc3c(cc12)OCCCO3
InChIInChI=1S/C16H21NO2S/c1-3-5-11-12-8-13-14(19-7-4-6-18-13)9-15(12)20-16(11)10-17-2/h8-9,17H,3-7,10H2,1-2H3
InChIKeyLNKBCAXEWWTDOE-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(9-tert-butyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)-N-methylmethanamine
CID 114378456
(9-ethyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine
CID 113459908
N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine
CID 115480588
N-[1-(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)ethyl]propan-1-amine
CID 115479896
(8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine
CID 114378429
10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668414
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)phenyl]-N-methylmethanamine
CID 115480334
N-methyl-1-(3,5,6-trimethyl-1-benzothiophen-2-yl)methanamine
CID 81047775
N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
CID 114377984
N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 63481043
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylmethanediamine
CID 115226495
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethylbutan-1-amine
CID 43492692

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine?
The IUPAC name of N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine (CID 114378449) is N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine.
What is the SMILES notation for N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine?
The canonical SMILES for N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine is CCCc1c(CNC)sc2cc3c(cc12)OCCCO3.
What is the InChIKey of N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine?
The InChIKey is LNKBCAXEWWTDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-5-11-12-8-13-14(19-7-4-6-18-13)9-15(12)20-16(11)10-17-2/h8-9,17H,3-7,10H2,1-2H3.
What are the key properties of N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine?
N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine has a molecular weight of 291.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine is sourced from PubChem (CID 114378449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).