N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine

C13H23N3S — CID 116911032

IUPACN,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(C1CN(C)CCN1)N(C)C
InChIInChI=1S/C13H23N3S/c1-10-5-8-17-13(10)12(15(2)3)11-9-16(4)7-6-14-11/h5,8,11-12,14H,6-7,9H2,1-4H3
InChIKeyNAGMUWUTTBNEFK-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.56
Rot. Bonds3

About N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine

N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 116911032) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine
PubChem CID116911032
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(C1CN(C)CCN1)N(C)C
InChIInChI=1S/C13H23N3S/c1-10-5-8-17-13(10)12(15(2)3)11-9-16(4)7-6-14-11/h5,8,11-12,14H,6-7,9H2,1-4H3
InChIKeyNAGMUWUTTBNEFK-UHFFFAOYSA-N
XLogP1.56
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine
CID 116911018
N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
CID 116906601
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide
CID 155273686
3-methyl-N-[(4-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238602
(3,4-dimethylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941348
(4-methylphenyl)-(4-methylpiperazin-2-yl)methanamine
CID 116941344
2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 106640377
1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
CID 116914575
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(1-methylpiperidin-3-yl)methanamine
CID 116911029
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
N-methyl-1-(4-methylpiperazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 116956720

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine (CID 116911032) is N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(C1CN(C)CCN1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is NAGMUWUTTBNEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-5-8-17-13(10)12(15(2)3)11-9-16(4)7-6-14-11/h5,8,11-12,14H,6-7,9H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine?
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 253.41 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 116911032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).