N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine

C17H30N2OS — CID 80722127

IUPACN-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)C)cc1COCC1CCCCN1C
InChIInChI=1S/C17H30N2OS/c1-13(2)18-10-17-9-15(14(3)21-17)11-20-12-16-7-5-6-8-19(16)4/h9,13,16,18H,5-8,10-12H2,1-4H3
InChIKeyFQPQCDKYGMDKCD-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.56
Rot. Bonds7

About N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 80722127) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID80722127
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1sc(CNC(C)C)cc1COCC1CCCCN1C
InChIInChI=1S/C17H30N2OS/c1-13(2)18-10-17-9-15(14(3)21-17)11-20-12-16-7-5-6-8-19(16)4/h9,13,16,18H,5-8,10-12H2,1-4H3
InChIKeyFQPQCDKYGMDKCD-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559038
N-[[5-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 80728551
N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 80721416
N-methyl-1-[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]furan-2-yl]methanamine
CID 65468080
N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80722894
2-methyl-N-[[5-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559039
3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65469427
2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80720268
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
CID 80727932
2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 65467117
N-methyl-1-[5-methyl-4-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methanamine
CID 80734122
N-[[5-methyl-4-(2-pyridin-2-ylethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80720105

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine (CID 80722127) is N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine is Cc1sc(CNC(C)C)cc1COCC1CCCCN1C.
What is the InChIKey of N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is FQPQCDKYGMDKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-13(2)18-10-17-9-15(14(3)21-17)11-20-12-16-7-5-6-8-19(16)4/h9,13,16,18H,5-8,10-12H2,1-4H3.
What are the key properties of N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(1-methylpiperidin-2-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80722127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).