N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

C16H28N2S — CID 43079511

IUPACN'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCCC1CCC(NCC(c2cccs2)N(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-4-13-7-9-14(10-8-13)17-12-15(18(2)3)16-6-5-11-19-16/h5-6,11,13-15,17H,4,7-10,12H2,1-3H3
InChIKeyFNIHXMPGXBNIAD-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.91
Rot. Bonds6

About N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 43079511) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID43079511
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCCC1CCC(NCC(c2cccs2)N(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-4-13-7-9-14(10-8-13)17-12-15(18(2)3)16-6-5-11-19-16/h5-6,11,13-15,17H,4,7-10,12H2,1-3H3
InChIKeyFNIHXMPGXBNIAD-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-N'-piperidin-4-yl-1-thiophen-2-ylethane-1,2-diamine
CID 54902452
N,N-dimethyl-N'-(1-oxothian-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 54981658
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 65071295
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 103801716
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64502337
N,N-dimethyl-N'-(oxan-4-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62384640
2-amino-N-(4-ethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287059
N'-(4-ethylcyclohexyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556346
3-(cyclopropylamino)-2-thiophen-2-ylpropan-1-ol
CID 117240284
N'-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 82686861

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (CID 43079511) is N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is CCC1CCC(NCC(c2cccs2)N(C)C)CC1.
What is the InChIKey of N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is FNIHXMPGXBNIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-13-7-9-14(10-8-13)17-12-15(18(2)3)16-6-5-11-19-16/h5-6,11,13-15,17H,4,7-10,12H2,1-3H3.
What are the key properties of N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 280.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcyclohexyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 43079511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).