N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine

C12H21NS — CID 67813674

IUPACN-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
SMILESCCN(CCCc1cccs1)C(C)C
InChIInChI=1S/C12H21NS/c1-4-13(11(2)3)9-5-7-12-8-6-10-14-12/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyPCPJYCMQLSSGNE-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.41
Rot. Bonds6

About N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine

N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine (PubChem CID 67813674) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
PubChem CID67813674
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
SMILESCCN(CCCc1cccs1)C(C)C
InChIInChI=1S/C12H21NS/c1-4-13(11(2)3)9-5-7-12-8-6-10-14-12/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyPCPJYCMQLSSGNE-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-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'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 55072475
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62022578
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile
CID 61436724
1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine (CID 67813674) is N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine is CCN(CCCc1cccs1)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is PCPJYCMQLSSGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-4-13(11(2)3)9-5-7-12-8-6-10-14-12/h6,8,10-11H,4-5,7,9H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine?
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 67813674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).