3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine

C14H18N2S — CID 115214140

IUPAC3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
SMILESNC1CC(CNCc2csc3ccccc23)C1
InChIInChI=1S/C14H18N2S/c15-12-5-10(6-12)7-16-8-11-9-17-14-4-2-1-3-13(11)14/h1-4,9-10,12,16H,5-8,15H2
InChIKeyRFFAUFDNNABKSK-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.73
Rot. Bonds4

About 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine

3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine (PubChem CID 115214140) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
PubChem CID115214140
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
SMILESNC1CC(CNCc2csc3ccccc23)C1
InChIInChI=1S/C14H18N2S/c15-12-5-10(6-12)7-16-8-11-9-17-14-4-2-1-3-13(11)14/h1-4,9-10,12,16H,5-8,15H2
InChIKeyRFFAUFDNNABKSK-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
CID 113235576
N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456
4-[(1-benzothiophen-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79529921
N-(1-benzothiophen-3-ylmethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
CID 62698294
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
N-(1-benzothiophen-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55023246
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
N-(1-benzothiophen-3-ylmethyl)-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95607549
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine (CID 115214140) is 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine is NC1CC(CNCc2csc3ccccc23)C1.
What is the InChIKey of 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine?
The InChIKey is RFFAUFDNNABKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c15-12-5-10(6-12)7-16-8-11-9-17-14-4-2-1-3-13(11)14/h1-4,9-10,12,16H,5-8,15H2.
What are the key properties of 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine?
3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).