2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine

C14H24N2S — CID 115210503

IUPAC2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCCC1CCCN1)c1cccs1
InChIInChI=1S/C14H24N2S/c1-14(2,13-6-4-10-17-13)11-15-9-7-12-5-3-8-16-12/h4,6,10,12,15-16H,3,5,7-9,11H2,1-2H3
InChIKeyXZRABBHSOOBFCK-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.76
Rot. Bonds6

About 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine

2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine (PubChem CID 115210503) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine
PubChem CID115210503
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCCC1CCCN1)c1cccs1
InChIInChI=1S/C14H24N2S/c1-14(2,13-6-4-10-17-13)11-15-9-7-12-5-3-8-16-12/h4,6,10,12,15-16H,3,5,7-9,11H2,1-2H3
InChIKeyXZRABBHSOOBFCK-UHFFFAOYSA-N
XLogP2.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210512
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269
2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210522
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
1-(2-methyl-2-thiophen-2-ylpropyl)-3-propyl-1,4-diazepane
CID 80527693
N-but-3-ynyl-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526663
4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]cyclohexan-1-ol
CID 115239967
2,2,4-trimethyl-N-(2-pyrrolidin-2-ylethyl)pentan-1-amine
CID 115210501
N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide
CID 80528334
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide
CID 80527266
N-[2-(4-ethylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210402
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine (CID 115210503) is 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine is CC(C)(CNCCC1CCCN1)c1cccs1.
What is the InChIKey of 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is XZRABBHSOOBFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,13-6-4-10-17-13)11-15-9-7-12-5-3-8-16-12/h4,6,10,12,15-16H,3,5,7-9,11H2,1-2H3.
What are the key properties of 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine?
2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115210503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).