N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine

C13H24N2S — CID 107555623

IUPACN-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)C(C)C)s1
InChIInChI=1S/C13H24N2S/c1-10(2)14-8-12-6-7-13(16-12)9-15(5)11(3)4/h6-7,10-11,14H,8-9H2,1-5H3
InChIKeyFKBXCDYRZQFRPH-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.09
Rot. Bonds6

About N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107555623) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107555623
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)C(C)C)s1
InChIInChI=1S/C13H24N2S/c1-10(2)14-8-12-6-7-13(16-12)9-15(5)11(3)4/h6-7,10-11,14H,8-9H2,1-5H3
InChIKeyFKBXCDYRZQFRPH-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556231
N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556484
N-[[5-[[(4-bromophenyl)methyl-methylamino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555405
N-ethyl-2-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]prop-2-en-1-amine
CID 107555694
N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556893
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556865
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556812
N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
CID 107555759
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
CID 107555940
N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556384
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
CID 107556145

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107555623) is N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN(C)C(C)C)s1.
What is the InChIKey of N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is FKBXCDYRZQFRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-10(2)14-8-12-6-7-13(16-12)9-15(5)11(3)4/h6-7,10-11,14H,8-9H2,1-5H3.
What are the key properties of N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107555623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).