N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine

C16H28N2S — CID 62562744

IUPACN-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCC(c1cccs1)N(C)CCCNC1CCCCC1
InChIInChI=1S/C16H28N2S/c1-14(16-10-6-13-19-16)18(2)12-7-11-17-15-8-4-3-5-9-15/h6,10,13-15,17H,3-5,7-9,11-12H2,1-2H3
InChIKeyXSETXPNJLMTGOU-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.05
Rot. Bonds7

About N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine

N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine (PubChem CID 62562744) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
PubChem CID62562744
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCC(c1cccs1)N(C)CCCNC1CCCCC1
InChIInChI=1S/C16H28N2S/c1-14(16-10-6-13-19-16)18(2)12-7-11-17-15-8-4-3-5-9-15/h6,10,13-15,17H,3-5,7-9,11-12H2,1-2H3
InChIKeyXSETXPNJLMTGOU-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616023
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555793
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
N'-cyclohexyl-N'-methyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 54880288
N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257620
N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62568594
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 103069890
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112666260

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine (CID 62562744) is N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine is CC(c1cccs1)N(C)CCCNC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The InChIKey is XSETXPNJLMTGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-14(16-10-6-13-19-16)18(2)12-7-11-17-15-8-4-3-5-9-15/h6,10,13-15,17H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine has a molecular weight of 280.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62562744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).