N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine

C17H23NS — CID 65308766

IUPACN-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
SMILESc1ccc2c(CCCCCCNC3CC3)csc2c1
InChIInChI=1S/C17H23NS/c1(2-6-12-18-15-10-11-15)3-7-14-13-19-17-9-5-4-8-16(14)17/h4-5,8-9,13,15,18H,1-3,6-7,10-12H2
InChIKeyKQEOBGJLRRDJDX-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.76
Rot. Bonds8

About N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine

N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine (PubChem CID 65308766) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
PubChem CID65308766
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
SMILESc1ccc2c(CCCCCCNC3CC3)csc2c1
InChIInChI=1S/C17H23NS/c1(2-6-12-18-15-10-11-15)3-7-14-13-19-17-9-5-4-8-16(14)17/h4-5,8-9,13,15,18H,1-3,6-7,10-12H2
InChIKeyKQEOBGJLRRDJDX-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.76
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-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
CID 65300642
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-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine (CID 65308766) is N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine is c1ccc2c(CCCCCCNC3CC3)csc2c1.
What is the InChIKey of N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine?
The InChIKey is KQEOBGJLRRDJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1(2-6-12-18-15-10-11-15)3-7-14-13-19-17-9-5-4-8-16(14)17/h4-5,8-9,13,15,18H,1-3,6-7,10-12H2.
What are the key properties of N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine?
N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine has a molecular weight of 273.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine is sourced from PubChem (CID 65308766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).