N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine

C16H28N2OS — CID 107556893

IUPACN-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)CC2CCCOC2)s1
InChIInChI=1S/C16H28N2OS/c1-13(2)17-9-15-6-7-16(20-15)11-18(3)10-14-5-4-8-19-12-14/h6-7,13-14,17H,4-5,8-12H2,1-3H3
InChIKeyZOFHKBPIUSDYIC-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.10
Rot. Bonds7

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

N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107556893) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107556893
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)CC2CCCOC2)s1
InChIInChI=1S/C16H28N2OS/c1-13(2)17-9-15-6-7-16(20-15)11-18(3)10-14-5-4-8-19-12-14/h6-7,13-14,17H,4-5,8-12H2,1-3H3
InChIKeyZOFHKBPIUSDYIC-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556812
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556865
1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 79764596
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556859
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
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
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63708108
N-[[5-[[(4-bromophenyl)methyl-methylamino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555405
2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63706148

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107556893) is N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN(C)CC2CCCOC2)s1.
What is the InChIKey of N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is ZOFHKBPIUSDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-13(2)17-9-15-6-7-16(20-15)11-18(3)10-14-5-4-8-19-12-14/h6-7,13-14,17H,4-5,8-12H2,1-3H3.
What are the key properties of N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107556893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).