N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine

C17H29NOS — CID 116768863

IUPACN-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C17H29NOS/c1-5-18-15(14-7-12-20-13-14)17(19-6-2)10-8-16(3,4)9-11-17/h7,12-13,15,18H,5-6,8-11H2,1-4H3
InChIKeyPVDXTWMHASEFFF-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.77
Rot. Bonds6

About N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine

N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 116768863) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine
PubChem CID116768863
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)C1(OCC)CCC(C)(C)CC1
InChIInChI=1S/C17H29NOS/c1-5-18-15(14-7-12-20-13-14)17(19-6-2)10-8-16(3,4)9-11-17/h7,12-13,15,18H,5-6,8-11H2,1-4H3
InChIKeyPVDXTWMHASEFFF-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 116768916
N-[(3-bromothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768848
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine
CID 65104862
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116768795
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
[(4-chlorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277877
N-[(3-bromothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116770975
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 116768742
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine (CID 116768863) is N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)C1(OCC)CCC(C)(C)CC1.
What is the InChIKey of N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is PVDXTWMHASEFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-5-18-15(14-7-12-20-13-14)17(19-6-2)10-8-16(3,4)9-11-17/h7,12-13,15,18H,5-6,8-11H2,1-4H3.
What are the key properties of N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine?
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 295.49 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-4,4-dimethylcyclohexyl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 116768863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).