N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine

C16H19NS — CID 66024029

IUPACN-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
SMILESc1ccc2c(CC3(CNC4CC4)CC3)csc2c1
InChIInChI=1S/C16H19NS/c1-2-4-15-14(3-1)12(10-18-15)9-16(7-8-16)11-17-13-5-6-13/h1-4,10,13,17H,5-9,11H2
InChIKeyIHUNAYZECMCBIO-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.98
Rot. Bonds5

About N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine

N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 66024029) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
PubChem CID66024029
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
SMILESc1ccc2c(CC3(CNC4CC4)CC3)csc2c1
InChIInChI=1S/C16H19NS/c1-2-4-15-14(3-1)12(10-18-15)9-16(7-8-16)11-17-13-5-6-13/h1-4,10,13,17H,5-9,11H2
InChIKeyIHUNAYZECMCBIO-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 63736929
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
CID 63738318
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
CID 65308766
N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
CID 65300642
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
CID 79451537
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797
1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802264
N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 63736757

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine (CID 66024029) is N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine is c1ccc2c(CC3(CNC4CC4)CC3)csc2c1.
What is the InChIKey of N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is IHUNAYZECMCBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-4-15-14(3-1)12(10-18-15)9-16(7-8-16)11-17-13-5-6-13/h1-4,10,13,17H,5-9,11H2.
What are the key properties of N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine?
N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 257.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 66024029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).