N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

C16H28N2S — CID 107555469

IUPACN-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN1Cc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C16H28N2S/c1-5-13-7-6-10-18(13)12-15-9-8-14(19-15)11-17-16(2,3)4/h8-9,13,17H,5-7,10-12H2,1-4H3
InChIKeyHYXJAHDGHRYYJY-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.01
Rot. Bonds5

About N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107555469) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107555469
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN1Cc1ccc(CNC(C)(C)C)s1
InChIInChI=1S/C16H28N2S/c1-5-13-7-6-10-18(13)12-15-9-8-14(19-15)11-17-16(2,3)4/h8-9,13,17H,5-7,10-12H2,1-4H3
InChIKeyHYXJAHDGHRYYJY-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-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-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62439339
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 55092364
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
N-[[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557439
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556661
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107555416
N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768682
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
2-methyl-N-[[5-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559039
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556666
1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556015
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556037

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 107555469) is N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is CCC1CCCN1Cc1ccc(CNC(C)(C)C)s1.
What is the InChIKey of N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HYXJAHDGHRYYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-13-7-6-10-18(13)12-15-9-8-14(19-15)11-17-16(2,3)4/h8-9,13,17H,5-7,10-12H2,1-4H3.
What are the key properties of N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107555469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).