N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine

C16H29N3S — CID 107556812

IUPACN-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)CC2CCN(C)C2)s1
InChIInChI=1S/C16H29N3S/c1-13(2)17-9-15-5-6-16(20-15)12-19(4)11-14-7-8-18(3)10-14/h5-6,13-14,17H,7-12H2,1-4H3
InChIKeyPLEFHFNPUYNELL-UHFFFAOYSA-N
MW295.50 g/mol
LogP2.63
Rot. Bonds7

About N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107556812) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107556812
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)CC2CCN(C)C2)s1
InChIInChI=1S/C16H29N3S/c1-13(2)17-9-15-5-6-16(20-15)12-19(4)11-14-7-8-18(3)10-14/h5-6,13-14,17H,7-12H2,1-4H3
InChIKeyPLEFHFNPUYNELL-UHFFFAOYSA-N
XLogP2.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556893
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63274233
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556865
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63572100
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556859
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555362
N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555623
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophen-2-yl]methyl]methanamine
CID 16673427
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107556812) is N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN(C)CC2CCN(C)C2)s1.
What is the InChIKey of N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is PLEFHFNPUYNELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-13(2)17-9-15-5-6-16(20-15)12-19(4)11-14-7-8-18(3)10-14/h5-6,13-14,17H,7-12H2,1-4H3.
What are the key properties of N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107556812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).