4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine

C15H19NS — CID 64505583

IUPAC4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
SMILESNC(CCCc1csc2ccccc12)C1CC1
InChIInChI=1S/C15H19NS/c16-14(11-8-9-11)6-3-4-12-10-17-15-7-2-1-5-13(12)15/h1-2,5,7,10-11,14H,3-4,6,8-9,16H2
InChIKeyDXSFROSZPZWRNI-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.96
Rot. Bonds5

About 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine

4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine (PubChem CID 64505583) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
PubChem CID64505583
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
SMILESNC(CCCc1csc2ccccc12)C1CC1
InChIInChI=1S/C15H19NS/c16-14(11-8-9-11)6-3-4-12-10-17-15-7-2-1-5-13(12)15/h1-2,5,7,10-11,14H,3-4,6,8-9,16H2
InChIKeyDXSFROSZPZWRNI-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
3-(4-bromoheptyl)-1-benzothiophene
CID 64507607
N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
CID 65308766
N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
CID 65300642
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130
3-(4-chlorobutyl)-1-benzothiophene
CID 64513988
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 55231284
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine
CID 64503792
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(1-benzothiophen-3-yl)butan-1-one
CID 119412480

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine (CID 64505583) is 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine is NC(CCCc1csc2ccccc12)C1CC1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine?
The InChIKey is DXSFROSZPZWRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c16-14(11-8-9-11)6-3-4-12-10-17-15-7-2-1-5-13(12)15/h1-2,5,7,10-11,14H,3-4,6,8-9,16H2.
What are the key properties of 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine?
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine is sourced from PubChem (CID 64505583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).