N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine

C17H31N3S — CID 107556666

IUPACN-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(CN2CCCC2CN(C)C)s1
InChIInChI=1S/C17H31N3S/c1-14(2)10-18-11-16-7-8-17(21-16)13-20-9-5-6-15(20)12-19(3)4/h7-8,14-15,18H,5-6,9-13H2,1-4H3
InChIKeyJBINRSWOEMTUAY-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.02
Rot. Bonds8

About N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107556666) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID107556666
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(CN2CCCC2CN(C)C)s1
InChIInChI=1S/C17H31N3S/c1-14(2)10-18-11-16-7-8-17(21-16)13-20-9-5-6-15(20)12-19(3)4/h7-8,14-15,18H,5-6,9-13H2,1-4H3
InChIKeyJBINRSWOEMTUAY-UHFFFAOYSA-N
XLogP3.02
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556661
N-[[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557439
2-methyl-N-[[5-[(4-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556853
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557099
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107555469
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62890085
N-[[5-[(3,3-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556953
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556838
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62889225
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556037
[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine (CID 107556666) is N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(CN2CCCC2CN(C)C)s1.
What is the InChIKey of N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JBINRSWOEMTUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-14(2)10-18-11-16-7-8-17(21-16)13-20-9-5-6-15(20)12-19(3)4/h7-8,14-15,18H,5-6,9-13H2,1-4H3.
What are the key properties of N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107556666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).