N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine

C14H25N3S — CID 115255751

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccsc1CN(C)CC(C)N1CCNCC1
InChIInChI=1S/C14H25N3S/c1-12-4-9-18-14(12)11-16(3)10-13(2)17-7-5-15-6-8-17/h4,9,13,15H,5-8,10-11H2,1-3H3
InChIKeyJRGYVYUNGLGOOG-UHFFFAOYSA-N
MW267.44 g/mol
LogP1.78
Rot. Bonds5

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine (PubChem CID 115255751) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
PubChem CID115255751
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
SMILESCc1ccsc1CN(C)CC(C)N1CCNCC1
InChIInChI=1S/C14H25N3S/c1-12-4-9-18-14(12)11-16(3)10-13(2)17-7-5-15-6-8-17/h4,9,13,15H,5-8,10-11H2,1-3H3
InChIKeyJRGYVYUNGLGOOG-UHFFFAOYSA-N
XLogP1.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255779
N-methyl-2-piperazin-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 115255740
N,N'-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252887
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
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
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one
CID 56809947
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
CID 115255786
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210838
4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255664
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967
3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one
CID 82511099

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine (CID 115255751) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine is Cc1ccsc1CN(C)CC(C)N1CCNCC1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
The InChIKey is JRGYVYUNGLGOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12-4-9-18-14(12)11-16(3)10-13(2)17-7-5-15-6-8-17/h4,9,13,15H,5-8,10-11H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115255751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).