N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine

C18H24N2S — CID 106604586

IUPACN-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESc1ccc2c(CN(CC3CC3)CC3CCCN3)csc2c1
InChIInChI=1S/C18H24N2S/c1-2-6-18-17(5-1)15(13-21-18)11-20(10-14-7-8-14)12-16-4-3-9-19-16/h1-2,5-6,13-14,16,19H,3-4,7-12H2
InChIKeyRZLZNGZWJHQEPG-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.87
Rot. Bonds6

About N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine

N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine (PubChem CID 106604586) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
PubChem CID106604586
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESc1ccc2c(CN(CC3CC3)CC3CCCN3)csc2c1
InChIInChI=1S/C18H24N2S/c1-2-6-18-17(5-1)15(13-21-18)11-20(10-14-7-8-14)12-16-4-3-9-19-16/h1-2,5-6,13-14,16,19H,3-4,7-12H2
InChIKeyRZLZNGZWJHQEPG-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine 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-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604598
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
CID 63738091
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106604608
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604434
2-(1-benzothiophen-3-yl)piperidine
CID 4538625
2-(1-benzothiophen-3-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 11338227
(2S)-2-(1-benzothiophen-3-yl)piperidine;hydrochloride
CID 171194953
N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106616436
1-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604588

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine (CID 106604586) is N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine is c1ccc2c(CN(CC3CC3)CC3CCCN3)csc2c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The InChIKey is RZLZNGZWJHQEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-2-6-18-17(5-1)15(13-21-18)11-20(10-14-7-8-14)12-16-4-3-9-19-16/h1-2,5-6,13-14,16,19H,3-4,7-12H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine has a molecular weight of 300.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine is sourced from PubChem (CID 106604586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).