N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine

C14H26N2S — CID 115252887

IUPACN,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)Cc1sccc1C)C(C)C
InChIInChI=1S/C14H26N2S/c1-11(2)13(8-15-4)9-16(5)10-14-12(3)6-7-17-14/h6-7,11,13,15H,8-10H2,1-5H3
InChIKeyUMPAGFMDIZRLNR-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.98
Rot. Bonds7

About N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine

N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252887) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252887
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)Cc1sccc1C)C(C)C
InChIInChI=1S/C14H26N2S/c1-11(2)13(8-15-4)9-16(5)10-14-12(3)6-7-17-14/h6-7,11,13,15H,8-10H2,1-5H3
InChIKeyUMPAGFMDIZRLNR-UHFFFAOYSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 79201552
1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 115199472
2-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]butanenitrile
CID 115253986
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255751
N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
3-chloro-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62729258
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
3-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]butanoic acid
CID 115186262
1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 78800592
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115130337
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine (CID 115252887) is N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is CNCC(CN(C)Cc1sccc1C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is UMPAGFMDIZRLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(2)13(8-15-4)9-16(5)10-14-12(3)6-7-17-14/h6-7,11,13,15H,8-10H2,1-5H3.
What are the key properties of N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine?
N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 254.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).