N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine

C16H30N2S — CID 107556559

IUPACN,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(CN(C)CC(C)(C)C)s1
InChIInChI=1S/C16H30N2S/c1-13(2)9-17-10-14-7-8-15(19-14)11-18(6)12-16(3,4)5/h7-8,13,17H,9-12H2,1-6H3
InChIKeyFRWFRFURCKWIHD-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.97
Rot. Bonds7

About N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine

N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107556559) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107556559
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(CN(C)CC(C)(C)C)s1
InChIInChI=1S/C16H30N2S/c1-13(2)9-17-10-14-7-8-15(19-14)11-18(6)12-16(3,4)5/h7-8,13,17H,9-12H2,1-6H3
InChIKeyFRWFRFURCKWIHD-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
CID 107555759
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556552
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 107556125
N,2,2-trimethyl-N-[[2-[2-(2-methylpropylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115463980
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
CID 107556145
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine
CID 107557297
1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 81497928
N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557823
2-methyl-N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557958

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine (CID 107556559) is N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine is CC(C)CNCc1ccc(CN(C)CC(C)(C)C)s1.
What is the InChIKey of N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is FRWFRFURCKWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-13(2)9-17-10-14-7-8-15(19-14)11-18(6)12-16(3,4)5/h7-8,13,17H,9-12H2,1-6H3.
What are the key properties of N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine?
N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 282.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107556559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).