N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine

C16H28N2S — CID 55032865

IUPACN,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNC(C)c2ccsc2)(N(C)C)C1
InChIInChI=1S/C16H28N2S/c1-13-6-5-8-16(10-13,18(3)4)12-17-14(2)15-7-9-19-11-15/h7,9,11,13-14,17H,5-6,8,10,12H2,1-4H3
InChIKeyKMSKFCFZAJTGBD-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.91
Rot. Bonds5

About N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine (PubChem CID 55032865) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine
PubChem CID55032865
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNC(C)c2ccsc2)(N(C)C)C1
InChIInChI=1S/C16H28N2S/c1-13-6-5-8-16(10-13,18(3)4)12-17-14(2)15-7-9-19-11-15/h7,9,11,13-14,17H,5-6,8,10,12H2,1-4H3
InChIKeyKMSKFCFZAJTGBD-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-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

1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61210973
1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63454904
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212108
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940452
4,4-dimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65116695
1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 104581873
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine
CID 63776047
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
CID 61211364
methyl 3-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]butanoate
CID 61212301
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine (CID 55032865) is N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine is CC1CCCC(CNC(C)c2ccsc2)(N(C)C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine?
The InChIKey is KMSKFCFZAJTGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13-6-5-8-16(10-13,18(3)4)12-17-14(2)15-7-9-19-11-15/h7,9,11,13-14,17H,5-6,8,10,12H2,1-4H3.
What are the key properties of N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55032865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).