1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine

C17H29NOS — CID 116771017

IUPAC1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1(OCC)CCCCCC1
InChIInChI=1S/C17H29NOS/c1-3-18-16(13-15-9-12-20-14-15)17(19-4-2)10-7-5-6-8-11-17/h9,12,14,16,18H,3-8,10-11,13H2,1-2H3
InChIKeyCMDBOXZYZBDWAP-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.40
Rot. Bonds7

About 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine

1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 116771017) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID116771017
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1(OCC)CCCCCC1
InChIInChI=1S/C17H29NOS/c1-3-18-16(13-15-9-12-20-14-15)17(19-4-2)10-7-5-6-8-11-17/h9,12,14,16,18H,3-8,10-11,13H2,1-2H3
InChIKeyCMDBOXZYZBDWAP-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 116763428
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
CID 116765010
N-[1-(1-methoxycyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 104611504
N-ethyl-1-(1-phenylcyclobutyl)-2-thiophen-3-ylethanamine
CID 63078464
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
1-(1-ethoxycyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 116764064
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762214
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
1-(1-ethoxycyclohexyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116764166
[1-(1-methoxycyclobutyl)-2-thiophen-3-ylethyl]hydrazine
CID 105270433

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine (CID 116771017) is 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)C1(OCC)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is CMDBOXZYZBDWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-3-18-16(13-15-9-12-20-14-15)17(19-4-2)10-7-5-6-8-11-17/h9,12,14,16,18H,3-8,10-11,13H2,1-2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 295.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 116771017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).