N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine

C13H24N2S — CID 80727288

IUPACN-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CC)c(C)s1
InChIInChI=1S/C13H24N2S/c1-5-7-14-9-13-8-12(11(3)16-13)10-15(4)6-2/h8,14H,5-7,9-10H2,1-4H3
InChIKeyYPZOTYOIDQEZEN-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.01
Rot. Bonds7

About N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine

N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine (PubChem CID 80727288) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
PubChem CID80727288
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CC)c(C)s1
InChIInChI=1S/C13H24N2S/c1-5-7-14-9-13-8-12(11(3)16-13)10-15(4)6-2/h8,14H,5-7,9-10H2,1-4H3
InChIKeyYPZOTYOIDQEZEN-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
CID 80727545
N-[[5-methyl-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727702
N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 81067740
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80728052
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]butan-2-amine
CID 80728121
N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80719418
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 107402142
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
CID 80719917
N-[[5-methyl-4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80720043
N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine
CID 80720708
N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80727596

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine (CID 80727288) is N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)CC)c(C)s1.
What is the InChIKey of N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The InChIKey is YPZOTYOIDQEZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-7-14-9-13-8-12(11(3)16-13)10-15(4)6-2/h8,14H,5-7,9-10H2,1-4H3.
What are the key properties of N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80727288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).