N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine

C16H28N2S — CID 63776047

IUPACN,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCCc2cccs2)(N(C)C)C1
InChIInChI=1S/C16H28N2S/c1-14-6-4-9-16(12-14,18(2)3)13-17-10-8-15-7-5-11-19-15/h5,7,11,14,17H,4,6,8-10,12-13H2,1-3H3
InChIKeyOVGBIIOZYVYFMY-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.39
Rot. Bonds6

About N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine (PubChem CID 63776047) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine
PubChem CID63776047
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCCc2cccs2)(N(C)C)C1
InChIInChI=1S/C16H28N2S/c1-14-6-4-9-16(12-14,18(2)3)13-17-10-8-15-7-5-11-19-15/h5,7,11,14,17H,4,6,8-10,12-13H2,1-3H3
InChIKeyOVGBIIOZYVYFMY-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,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

1-amino-3-methyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 64551642
trans-(1S,3R)-N,N,3-trimethyl-1-[(pyridin-4-ylmethylamino)methyl]cyclohexan-1-amine
CID 129366227
N,N,3-trimethyl-1-[(2-morpholin-4-ylethylamino)methyl]cyclohexan-1-amine
CID 61211177
N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine
CID 55032865
[1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105277692
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 80722611
1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63456138
1-[[(2,3-difluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212677
N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine
CID 61211546
N,N,3-trimethyl-1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 61212304
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
CID 79074375

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine (CID 63776047) is N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine is CC1CCCC(CNCCc2cccs2)(N(C)C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine?
The InChIKey is OVGBIIOZYVYFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-14-6-4-9-16(12-14,18(2)3)13-17-10-8-15-7-5-11-19-15/h5,7,11,14,17H,4,6,8-10,12-13H2,1-3H3.
What are the key properties of N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine 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,N,3-trimethyl-1-[(2-thiophen-2-ylethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63776047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).