2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine

C14H23NO2S — CID 83975901

IUPAC2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine
SMILESCOC1(OC)CCC(C(CN)c2cccs2)CC1
InChIInChI=1S/C14H23NO2S/c1-16-14(17-2)7-5-11(6-8-14)12(10-15)13-4-3-9-18-13/h3-4,9,11-12H,5-8,10,15H2,1-2H3
InChIKeyADPNQIMWJYVIRY-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.97
Rot. Bonds5

About 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine

2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine (PubChem CID 83975901) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine
PubChem CID83975901
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine
SMILESCOC1(OC)CCC(C(CN)c2cccs2)CC1
InChIInChI=1S/C14H23NO2S/c1-16-14(17-2)7-5-11(6-8-14)12(10-15)13-4-3-9-18-13/h3-4,9,11-12H,5-8,10,15H2,1-2H3
InChIKeyADPNQIMWJYVIRY-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-2-thiophen-2-ylethanamine
CID 55269689
2-(1,3-benzothiazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
CID 83976239
2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine
CID 83977110
2-(1H-benzimidazol-2-yl)-2-(4,4-dimethoxycyclohexyl)ethanamine
CID 83976004
2-cyclopropyl-2-thiophen-2-ylethanol
CID 64989110
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
(2R)-3-cyclopropyl-2-thiophen-2-ylpropan-1-amine
CID 124676129
cyclopropyl(thiophen-2-yl)methanamine
CID 5015827
(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
CID 121454644
(4-propan-2-ylcyclohexyl)-thiophen-2-ylmethanamine
CID 65423602
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
1-[4-(aminomethyl)cyclohexyl]-N,N-dimethyl-1-thiophen-2-ylmethanamine
CID 24739735

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine (CID 83975901) is 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine is COC1(OC)CCC(C(CN)c2cccs2)CC1.
What is the InChIKey of 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine?
The InChIKey is ADPNQIMWJYVIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-16-14(17-2)7-5-11(6-8-14)12(10-15)13-4-3-9-18-13/h3-4,9,11-12H,5-8,10,15H2,1-2H3.
What are the key properties of 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine?
2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethoxycyclohexyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 83975901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).