5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine

C16H23NS — CID 64503792

IUPAC5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCc1csc2ccccc12
InChIInChI=1S/C16H23NS/c1-3-11-17-13(2)7-6-8-14-12-18-16-10-5-4-9-15(14)16/h4-5,9-10,12-13,17H,3,6-8,11H2,1-2H3
InChIKeyCNWNKLMNBCPLOK-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.61
Rot. Bonds7

About 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine

5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine (PubChem CID 64503792) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine
PubChem CID64503792
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)CCCc1csc2ccccc12
InChIInChI=1S/C16H23NS/c1-3-11-17-13(2)7-6-8-14-12-18-16-10-5-4-9-15(14)16/h4-5,9-10,12-13,17H,3,6-8,11H2,1-2H3
InChIKeyCNWNKLMNBCPLOK-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine 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

N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739
6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
CID 65308616
3-(4-bromoheptyl)-1-benzothiophene
CID 64507607
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 63738446
1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
CID 63737912
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-(1-benzothiophen-3-ylmethyl)hexan-3-amine
CID 62698113
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
CID 64505583
1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
CID 79412102

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine (CID 64503792) is 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine is CCCNC(C)CCCc1csc2ccccc12.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine?
The InChIKey is CNWNKLMNBCPLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-3-11-17-13(2)7-6-8-14-12-18-16-10-5-4-9-15(14)16/h4-5,9-10,12-13,17H,3,6-8,11H2,1-2H3.
What are the key properties of 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine?
5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine has a molecular weight of 261.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 64503792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).