N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C17H27N3S — CID 102992025

IUPACN'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1csc2ccccc12
InChIInChI=1S/C17H27N3S/c1-4-20(11-7-10-19(2)3)16(12-18)15-13-21-17-9-6-5-8-14(15)17/h5-6,8-9,13,16H,4,7,10-12,18H2,1-3H3
InChIKeyLUZSHPWMAWMENH-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.17
Rot. Bonds8

About N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102992025) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102992025
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC NameN'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1csc2ccccc12
InChIInChI=1S/C17H27N3S/c1-4-20(11-7-10-19(2)3)16(12-18)15-13-21-17-9-6-5-8-14(15)17/h5-6,8-9,13,16H,4,7,10-12,18H2,1-3H3
InChIKeyLUZSHPWMAWMENH-UHFFFAOYSA-N
XLogP3.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine 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-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 55225589
1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine
CID 62699054
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 62698501
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-methylethane-1,2-diamine
CID 62698680
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991476
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
1-(1-benzothiophen-3-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 78991737
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-(1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62698310
2-amino-1-(1-benzothiophen-3-yl)ethanethiol
CID 116868698

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102992025) is N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)C(CN)c1csc2ccccc12.
What is the InChIKey of N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is LUZSHPWMAWMENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-4-20(11-7-10-19(2)3)16(12-18)15-13-21-17-9-6-5-8-14(15)17/h5-6,8-9,13,16H,4,7,10-12,18H2,1-3H3.
What are the key properties of N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 305.49 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102992025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).