N-methyl-3-thiophen-3-ylcycloheptan-1-amine

C12H19NS — CID 65105117

IUPACN-methyl-3-thiophen-3-ylcycloheptan-1-amine
SMILESCNC1CCCCC(c2ccsc2)C1
InChIInChI=1S/C12H19NS/c1-13-12-5-3-2-4-10(8-12)11-6-7-14-9-11/h6-7,9-10,12-13H,2-5,8H2,1H3
InChIKeyZDWPYOMPBKGQFR-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.38
Rot. Bonds2

About N-methyl-3-thiophen-3-ylcycloheptan-1-amine

N-methyl-3-thiophen-3-ylcycloheptan-1-amine (PubChem CID 65105117) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-methyl-3-thiophen-3-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-3-thiophen-3-ylcycloheptan-1-amine
PubChem CID65105117
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-methyl-3-thiophen-3-ylcycloheptan-1-amine
SMILESCNC1CCCCC(c2ccsc2)C1
InChIInChI=1S/C12H19NS/c1-13-12-5-3-2-4-10(8-12)11-6-7-14-9-11/h6-7,9-10,12-13H,2-5,8H2,1H3
InChIKeyZDWPYOMPBKGQFR-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromocyclopentyl)thiophene
CID 65102125
N-cycloheptyl-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522920
3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine
CID 107290206
3-(3-chloro-4-methylphenyl)-N-methylcyclohexan-1-amine
CID 107560962
3-(3-fluoro-4-methylphenyl)-N-methylcyclohexan-1-amine
CID 107129420
3-thiophen-3-ylpyrrolidine;hydrochloride
CID 169498224
N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine
CID 53275665
3-(3,3,5-trimethylcyclohexyl)thiophene
CID 150862105
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 95775954
3-methyl-2-thiophen-3-ylcyclohexan-1-one
CID 101419883
N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine
CID 81032402

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-thiophen-3-ylcycloheptan-1-amine?
The IUPAC name of N-methyl-3-thiophen-3-ylcycloheptan-1-amine (CID 65105117) is N-methyl-3-thiophen-3-ylcycloheptan-1-amine.
What is the SMILES notation for N-methyl-3-thiophen-3-ylcycloheptan-1-amine?
The canonical SMILES for N-methyl-3-thiophen-3-ylcycloheptan-1-amine is CNC1CCCCC(c2ccsc2)C1.
What is the InChIKey of N-methyl-3-thiophen-3-ylcycloheptan-1-amine?
The InChIKey is ZDWPYOMPBKGQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-13-12-5-3-2-4-10(8-12)11-6-7-14-9-11/h6-7,9-10,12-13H,2-5,8H2,1H3.
What are the key properties of N-methyl-3-thiophen-3-ylcycloheptan-1-amine?
N-methyl-3-thiophen-3-ylcycloheptan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-thiophen-3-ylcycloheptan-1-amine is sourced from PubChem (CID 65105117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).