N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine

C16H21NS — CID 65300642

IUPACN-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
SMILESc1ccc2c(CCCCCNC3CC3)csc2c1
InChIInChI=1S/C16H21NS/c1(5-11-17-14-9-10-14)2-6-13-12-18-16-8-4-3-7-15(13)16/h3-4,7-8,12,14,17H,1-2,5-6,9-11H2
InChIKeyFPHJVCAEOMPMNN-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.37
Rot. Bonds7

About N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine

N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine (PubChem CID 65300642) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
PubChem CID65300642
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
SMILESc1ccc2c(CCCCCNC3CC3)csc2c1
InChIInChI=1S/C16H21NS/c1(5-11-17-14-9-10-14)2-6-13-12-18-16-8-4-3-7-15(13)16/h3-4,7-8,12,14,17H,1-2,5-6,9-11H2
InChIKeyFPHJVCAEOMPMNN-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
CID 65308766
6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
CID 65308616
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
3-(4-chlorobutyl)-1-benzothiophene
CID 64513988
N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024029
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
CID 64505583
CID 119080104
CID 119080104
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578
N-[4-(2-methylnaphthalen-1-yl)butyl]cyclopropanamine
CID 81432277
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81047286
3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64907706

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine (CID 65300642) is N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine is c1ccc2c(CCCCCNC3CC3)csc2c1.
What is the InChIKey of N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine?
The InChIKey is FPHJVCAEOMPMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1(5-11-17-14-9-10-14)2-6-13-12-18-16-8-4-3-7-15(13)16/h3-4,7-8,12,14,17H,1-2,5-6,9-11H2.
What are the key properties of N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine?
N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine has a molecular weight of 259.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 65300642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).