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

C14H24N2S — CID 114762984

IUPAC4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCCN(Cc1cccs1)C1CCC(NC)CC1
InChIInChI=1S/C14H24N2S/c1-3-16(11-14-5-4-10-17-14)13-8-6-12(15-2)7-9-13/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3
InChIKeyBDQDPOXFCBVGAC-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.10
Rot. Bonds5

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

4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 114762984) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
PubChem CID114762984
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCCN(Cc1cccs1)C1CCC(NC)CC1
InChIInChI=1S/C14H24N2S/c1-3-16(11-14-5-4-10-17-14)13-8-6-12(15-2)7-9-13/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3
InChIKeyBDQDPOXFCBVGAC-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62412914
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62610899
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411164

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine (CID 114762984) is 4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine is CCN(Cc1cccs1)C1CCC(NC)CC1.
What is the InChIKey of 4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is BDQDPOXFCBVGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-16(11-14-5-4-10-17-14)13-8-6-12(15-2)7-9-13/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3.
What are the key properties of 4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine?
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114762984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).