N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine

C17H29NOS — CID 107558833

IUPACN-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COCC2CCCCC2)s1
InChIInChI=1S/C17H29NOS/c1-14(2)10-18-11-16-8-9-17(20-16)13-19-12-15-6-4-3-5-7-15/h8-9,14-15,18H,3-7,10-13H2,1-2H3
InChIKeyXXIAZOHETWNAHO-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.59
Rot. Bonds8

About N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107558833) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107558833
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(COCC2CCCCC2)s1
InChIInChI=1S/C17H29NOS/c1-14(2)10-18-11-16-8-9-17(20-16)13-19-12-15-6-4-3-5-7-15/h8-9,14-15,18H,3-7,10-13H2,1-2H3
InChIKeyXXIAZOHETWNAHO-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(cyclohexylmethoxymethyl)thiophen-2-yl]-N-methylmethanamine
CID 107558835
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 66322072
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
2-methyl-N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557958
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
1-cyclohexyl-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273821
N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558843
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558452
N-[[5-(cyclohexylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62486552
N-[[5-[(3,5-difluorophenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558865
N-[[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557439

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 107558833) is N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(COCC2CCCCC2)s1.
What is the InChIKey of N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XXIAZOHETWNAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-14(2)10-18-11-16-8-9-17(20-16)13-19-12-15-6-4-3-5-7-15/h8-9,14-15,18H,3-7,10-13H2,1-2H3.
What are the key properties of N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107558833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).