4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine

C13H22N2S — CID 62808156

IUPAC4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCCN(Cc1cccs1)C1CCC(N)CC1
InChIInChI=1S/C13H22N2S/c1-2-15(10-13-4-3-9-16-13)12-7-5-11(14)6-8-12/h3-4,9,11-12H,2,5-8,10,14H2,1H3
InChIKeyZPCRVUOSTNNTBH-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.84
Rot. Bonds4

About 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 62808156) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
PubChem CID62808156
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCCN(Cc1cccs1)C1CCC(N)CC1
InChIInChI=1S/C13H22N2S/c1-2-15(10-13-4-3-9-16-13)12-7-5-11(14)6-8-12/h3-4,9,11-12H,2,5-8,10,14H2,1H3
InChIKeyZPCRVUOSTNNTBH-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561825
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79912703
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine (CID 62808156) is 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine is CCN(Cc1cccs1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is ZPCRVUOSTNNTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-15(10-13-4-3-9-16-13)12-7-5-11(14)6-8-12/h3-4,9,11-12H,2,5-8,10,14H2,1H3.
What are the key properties of 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62808156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).