N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine

C19H33NS — CID 142603195

IUPACN-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine
SMILESCCC(C)CCc1sc2c(c1C(C)CNC)CCCCC2
InChIInChI=1S/C19H33NS/c1-5-14(2)11-12-18-19(15(3)13-20-4)16-9-7-6-8-10-17(16)21-18/h14-15,20H,5-13H2,1-4H3
InChIKeyWKEWITOZMHNPTB-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.32
Rot. Bonds7

About N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine

N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine (PubChem CID 142603195) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine
PubChem CID142603195
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC NameN-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine
SMILESCCC(C)CCc1sc2c(c1C(C)CNC)CCCCC2
InChIInChI=1S/C19H33NS/c1-5-14(2)11-12-18-19(15(3)13-20-4)16-9-7-6-8-10-17(16)21-18/h14-15,20H,5-13H2,1-4H3
InChIKeyWKEWITOZMHNPTB-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine with MolForge

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Related Compounds

2-(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)propan-1-amine
CID 142603261
2-butan-2-yl-3-fluoro-4,5,6,7-tetrahydro-1-benzothiophene
CID 143781055
N-(2-methylpropyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 4689752
ethane;(2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)phosphane
CID 143997008
10-butan-2-yl-N-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 55230177
propan-2-yl 2-[[(2R)-2-ethylhexanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 40579383
2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol
CID 84677134
N-ethyl-10-(3-methylbutyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 63486253
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 722208
3-ethyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 155737642
N,3-dimethylpentan-1-amine;ethane
CID 142089517
N,2-dimethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 105017490

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine?
The IUPAC name of N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine (CID 142603195) is N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine is CCC(C)CCc1sc2c(c1C(C)CNC)CCCCC2.
What is the InChIKey of N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine?
The InChIKey is WKEWITOZMHNPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-5-14(2)11-12-18-19(15(3)13-20-4)16-9-7-6-8-10-17(16)21-18/h14-15,20H,5-13H2,1-4H3.
What are the key properties of N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine?
N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine has a molecular weight of 307.55 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methylpentyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl]propan-1-amine is sourced from PubChem (CID 142603195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).