1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine

C13H22N2S — CID 79469682

IUPAC1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
SMILESCC(c1cccs1)N(C)C1CCCC(N)C1
InChIInChI=1S/C13H22N2S/c1-10(13-7-4-8-16-13)15(2)12-6-3-5-11(14)9-12/h4,7-8,10-12H,3,5-6,9,14H2,1-2H3
InChIKeyLGROOJDQHJYGAF-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.01
Rot. Bonds3

About 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine

1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine (PubChem CID 79469682) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
PubChem CID79469682
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine
SMILESCC(c1cccs1)N(C)C1CCCC(N)C1
InChIInChI=1S/C13H22N2S/c1-10(13-7-4-8-16-13)15(2)12-6-3-5-11(14)9-12/h4,7-8,10-12H,3,5-6,9,14H2,1-2H3
InChIKeyLGROOJDQHJYGAF-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467705
1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467961
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-thiophen-2-ylpropane-1,2-diamine
CID 62547450
2-methyl-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclopentan-1-amine
CID 82767577
2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one
CID 55134907
tert-butyl 4-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175331
2,2-dimethyl-6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 79852664
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
3-propan-2-yl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107447910
8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233082

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine (CID 79469682) is 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine is CC(c1cccs1)N(C)C1CCCC(N)C1.
What is the InChIKey of 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine?
The InChIKey is LGROOJDQHJYGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(13-7-4-8-16-13)15(2)12-6-3-5-11(14)9-12/h4,7-8,10-12H,3,5-6,9,14H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine?
1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine has a molecular weight of 238.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1-thiophen-2-ylethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79469682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).