N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine

C16H28N2S — CID 65286725

IUPACN-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCC1(C)CCCN(CCNCCc2ccsc2)CC1
InChIInChI=1S/C16H28N2S/c1-16(2)6-3-10-18(11-7-16)12-9-17-8-4-15-5-13-19-14-15/h5,13-14,17H,3-4,6-12H2,1-2H3
InChIKeyHKCXZOOBUDODLT-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine

N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 65286725) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
PubChem CID65286725
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCC1(C)CCCN(CCNCCc2ccsc2)CC1
InChIInChI=1S/C16H28N2S/c1-16(2)6-3-10-18(11-7-16)12-9-17-8-4-15-5-13-19-14-15/h5,13-14,17H,3-4,6-12H2,1-2H3
InChIKeyHKCXZOOBUDODLT-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine 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-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 65286429
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102746120
N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102968363
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62556525
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62576069
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
CID 104961122
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62575266
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 55085249
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62567147

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine (CID 65286725) is N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine is CC1(C)CCCN(CCNCCc2ccsc2)CC1.
What is the InChIKey of N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is HKCXZOOBUDODLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-16(2)6-3-10-18(11-7-16)12-9-17-8-4-15-5-13-19-14-15/h5,13-14,17H,3-4,6-12H2,1-2H3.
What are the key properties of N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 280.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 65286725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).