N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine

C17H30N2OS — CID 80719848

IUPACN-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COCCN2CCCCC2)c(C)s1
InChIInChI=1S/C17H30N2OS/c1-3-7-18-13-17-12-16(15(2)21-17)14-20-11-10-19-8-5-4-6-9-19/h12,18H,3-11,13-14H2,1-2H3
InChIKeyUGOKIXHWWMFTPK-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.56
Rot. Bonds9

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

N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 80719848) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID80719848
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COCCN2CCCCC2)c(C)s1
InChIInChI=1S/C17H30N2OS/c1-3-7-18-13-17-12-16(15(2)21-17)14-20-11-10-19-8-5-4-6-9-19/h12,18H,3-11,13-14H2,1-2H3
InChIKeyUGOKIXHWWMFTPK-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine
CID 80729917
N-[[5-methyl-4-(3,3,3-trifluoropropoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 82957315
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728262
N-[[5-methyl-4-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80729235
N-[[5-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728754
N-[[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 82006891
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419
N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80734057
N-[[5-methyl-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80727922
N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728764
N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 103503337
N-[[5-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80722414

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine (CID 80719848) is N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(COCCN2CCCCC2)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is UGOKIXHWWMFTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-3-7-18-13-17-12-16(15(2)21-17)14-20-11-10-19-8-5-4-6-9-19/h12,18H,3-11,13-14H2,1-2H3.
What are the key properties of N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine?
N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80719848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).