N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C13H20N2S — CID 19771561

IUPACN-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCC(NC1=NCCCCC1)c1cccs1
InChIInChI=1S/C13H20N2S/c1-2-11(12-7-6-10-16-12)15-13-8-4-3-5-9-14-13/h6-7,10-11H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyWRIGUHOSJVYOPY-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.76
Rot. Bonds3

About N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 19771561) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID19771561
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCCC(NC1=NCCCCC1)c1cccs1
InChIInChI=1S/C13H20N2S/c1-2-11(12-7-6-10-16-12)15-13-8-4-3-5-9-14-13/h6-7,10-11H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyWRIGUHOSJVYOPY-UHFFFAOYSA-N
XLogP3.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81408564
N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 19771647
3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline
CID 60943707
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
1-[2-(1-thiophen-2-ylpropylamino)phenyl]pyrrolidin-2-one
CID 43106173
5-morpholin-4-yl-N-[(1S)-1-thiophen-2-ylpropyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 42306412
2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62710326
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine
CID 115894417
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide
CID 2322147
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80807202

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 19771561) is N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is CCC(NC1=NCCCCC1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is WRIGUHOSJVYOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-11(12-7-6-10-16-12)15-13-8-4-3-5-9-14-13/h6-7,10-11H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 236.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 19771561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).