N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine

C15H28N2S — CID 107555759

IUPACN-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
SMILESCCC(C)N(C)Cc1ccc(CNCC(C)C)s1
InChIInChI=1S/C15H28N2S/c1-6-13(4)17(5)11-15-8-7-14(18-15)10-16-9-12(2)3/h7-8,12-13,16H,6,9-11H2,1-5H3
InChIKeyWAMSSRFCEGTSST-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.72
Rot. Bonds8

About N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine

N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine (PubChem CID 107555759) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
PubChem CID107555759
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
SMILESCCC(C)N(C)Cc1ccc(CNCC(C)C)s1
InChIInChI=1S/C15H28N2S/c1-6-13(4)17(5)11-15-8-7-14(18-15)10-16-9-12(2)3/h7-8,12-13,16H,6,9-11H2,1-5H3
InChIKeyWAMSSRFCEGTSST-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556559
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
CID 107555940
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
1-methoxy-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556235
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556552
N,3,3-trimethyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]butan-2-amine
CID 107556145
N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 107556125
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 107454052
N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555623
1-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556231
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558452
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine?
The IUPAC name of N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine (CID 107555759) is N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine is CCC(C)N(C)Cc1ccc(CNCC(C)C)s1.
What is the InChIKey of N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine?
The InChIKey is WAMSSRFCEGTSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-6-13(4)17(5)11-15-8-7-14(18-15)10-16-9-12(2)3/h7-8,12-13,16H,6,9-11H2,1-5H3.
What are the key properties of N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine?
N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine has a molecular weight of 268.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 107555759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).