4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine

C13H21NS — CID 62621420

IUPAC4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(N)(Cc2ccsc2)CC1
InChIInChI=1S/C13H21NS/c1-2-11-3-6-13(14,7-4-11)9-12-5-8-15-10-12/h5,8,10-11H,2-4,6-7,9,14H2,1H3
InChIKeyFATNEGQOOINIHM-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.59
Rot. Bonds3

About 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine

4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine (PubChem CID 62621420) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
PubChem CID62621420
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(N)(Cc2ccsc2)CC1
InChIInChI=1S/C13H21NS/c1-2-11-3-6-13(14,7-4-11)9-12-5-8-15-10-12/h5,8,10-11H,2-4,6-7,9,14H2,1H3
InChIKeyFATNEGQOOINIHM-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64514105
4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
CID 65082624
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 64516010
1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 64501598
2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 62621060
2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-amine
CID 114535442
1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513179
4-ethyl-1-(2-phenylethyl)cyclohexan-1-amine
CID 60799381
1-(2-thiophen-3-ylethyl)cyclopropan-1-amine
CID 66025535
4-ethyl-1-thiophen-3-ylcycloheptan-1-ol
CID 65099566
1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64513419

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine (CID 62621420) is 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine is CCC1CCC(N)(Cc2ccsc2)CC1.
What is the InChIKey of 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is FATNEGQOOINIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-2-11-3-6-13(14,7-4-11)9-12-5-8-15-10-12/h5,8,10-11H,2-4,6-7,9,14H2,1H3.
What are the key properties of 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine?
4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62621420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).