N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine

C17H29NOS — CID 107558977

IUPACN-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCCC1CCCC(OCc2ccc(CNC(C)C)s2)C1
InChIInChI=1S/C17H29NOS/c1-4-14-6-5-7-15(10-14)19-12-17-9-8-16(20-17)11-18-13(2)3/h8-9,13-15,18H,4-7,10-12H2,1-3H3
InChIKeyYITIXVFOBUCPCY-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.73
Rot. Bonds7

About N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107558977) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107558977
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCCC1CCCC(OCc2ccc(CNC(C)C)s2)C1
InChIInChI=1S/C17H29NOS/c1-4-14-6-5-7-15(10-14)19-12-17-9-8-16(20-17)11-18-13(2)3/h8-9,13-15,18H,4-7,10-12H2,1-3H3
InChIKeyYITIXVFOBUCPCY-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-ethylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine
CID 79773835
N-ethyl-5-[(3-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-amine
CID 79775261
N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558214
N-[[5-[(3-ethoxypiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555415
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558997
N-[[4-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62456835
N-[[5-[(4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558537
N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558038
1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457742
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
CID 82976185
3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine
CID 79465915

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine (CID 107558977) is N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine is CCC1CCCC(OCc2ccc(CNC(C)C)s2)C1.
What is the InChIKey of N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is YITIXVFOBUCPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-4-14-6-5-7-15(10-14)19-12-17-9-8-16(20-17)11-18-13(2)3/h8-9,13-15,18H,4-7,10-12H2,1-3H3.
What are the key properties of N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 295.49 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107558977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).