N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

C15H26N2S — CID 107557194

IUPACN-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(C)(C)C2)s1
InChIInChI=1S/C15H26N2S/c1-4-8-16-10-13-5-6-14(18-13)11-17-9-7-15(2,3)12-17/h5-6,16H,4,7-12H2,1-3H3
InChIKeyWJFHCYVKSWNRTC-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.48
Rot. Bonds6

About N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107557194) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107557194
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(C)(C)C2)s1
InChIInChI=1S/C15H26N2S/c1-4-8-16-10-13-5-6-14(18-13)11-17-9-7-15(2,3)12-17/h5-6,16H,4,7-12H2,1-3H3
InChIKeyWJFHCYVKSWNRTC-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-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-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107555665
N-[[5-[(3,3-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556953
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555987
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine
CID 79037902
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555450
N-[[3-bromo-4-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 102771564
N-[[5-[(4-propan-2-ylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556991
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107556729
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556748
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556747
N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557570

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (CID 107557194) is N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCC(C)(C)C2)s1.
What is the InChIKey of N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is WJFHCYVKSWNRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-8-16-10-13-5-6-14(18-13)11-17-9-7-15(2,3)12-17/h5-6,16H,4,7-12H2,1-3H3.
What are the key properties of N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107557194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).