1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine

C16H23NS — CID 63738446

IUPAC1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(CCc1csc2ccccc12)C(C)C
InChIInChI=1S/C16H23NS/c1-4-17-15(12(2)3)10-9-13-11-18-16-8-6-5-7-14(13)16/h5-8,11-12,15,17H,4,9-10H2,1-3H3
InChIKeyILHKCVPEXZRPTN-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.47
Rot. Bonds6

About 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine

1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine (PubChem CID 63738446) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
PubChem CID63738446
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
SMILESCCNC(CCc1csc2ccccc12)C(C)C
InChIInChI=1S/C16H23NS/c1-4-17-15(12(2)3)10-9-13-11-18-16-8-6-5-7-14(13)16/h5-8,11-12,15,17H,4,9-10H2,1-3H3
InChIKeyILHKCVPEXZRPTN-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-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

1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720326
1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
CID 63737912
5-(1-benzothiophen-3-yl)-N-propylpentan-2-amine
CID 64503792
5-(1-benzothiophen-3-yl)-3-methylpentan-1-amine
CID 65300535
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739
6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
CID 65308616
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 81028431
1-(1-benzothiophen-3-yl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105116408
1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-3-yl]-N-ethylethanamine
CID 79099864

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine (CID 63738446) is 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine is CCNC(CCc1csc2ccccc12)C(C)C.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine?
The InChIKey is ILHKCVPEXZRPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-4-17-15(12(2)3)10-9-13-11-18-16-8-6-5-7-14(13)16/h5-8,11-12,15,17H,4,9-10H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine?
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine has a molecular weight of 261.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine is sourced from PubChem (CID 63738446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).