N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine

C10H19NS — CID 57000948

IUPACN-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
SMILESCCN(CC)CC1(C)CC=CS1
InChIInChI=1S/C10H19NS/c1-4-11(5-2)9-10(3)7-6-8-12-10/h6,8H,4-5,7,9H2,1-3H3
InChIKeyFFFRKORFOMKHPS-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.74
Rot. Bonds4

About N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine

N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine (PubChem CID 57000948) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
PubChem CID57000948
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
SMILESCCN(CC)CC1(C)CC=CS1
InChIInChI=1S/C10H19NS/c1-4-11(5-2)9-10(3)7-6-8-12-10/h6,8H,4-5,7,9H2,1-3H3
InChIKeyFFFRKORFOMKHPS-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine 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,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine
CID 57002242
1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine
CID 57070658
N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine
CID 57082603
N,N-dimethyl-1-(2-propyl-3H-thiophen-2-yl)methanamine
CID 57124125
2-methyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57261495
N,N-diethyl-2-methyl-3H-thiophen-2-amine
CID 57277605
N-but-3-enyl-N-methyl-3-methylsulfanylbut-3-en-1-amine
CID 139357838
N-(2-ethenylsulfanylprop-2-enyl)-N-methyl-3-methylidenepent-4-en-1-amine
CID 139359251
N-methyl-N-(3-methylbutyl)-4-methylsulfanylhexa-1,5-dien-2-amine
CID 169916691
N-methyl-N-propyl-2-(propylsulfanylmethyl)but-3-en-1-amine
CID 170317553
3-methylidene-N,N-bis(2-methylsulfanylethyl)pent-4-en-1-amine
CID 172126461

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine (CID 57000948) is N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine is CCN(CC)CC1(C)CC=CS1.
What is the InChIKey of N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine?
The InChIKey is FFFRKORFOMKHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-11(5-2)9-10(3)7-6-8-12-10/h6,8H,4-5,7,9H2,1-3H3.
What are the key properties of N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine?
N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine has a molecular weight of 185.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 57000948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).