N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C15H27N3S — CID 63896511

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCC1CN(C)CCN1C)c1cccs1
InChIInChI=1S/C15H27N3S/c1-12(2)15(14-6-5-9-19-14)16-10-13-11-17(3)7-8-18(13)4/h5-6,9,12-13,15-16H,7-8,10-11H2,1-4H3
InChIKeyBNADLJDSOZRPGB-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.28
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 63896511) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID63896511
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCC1CN(C)CCN1C)c1cccs1
InChIInChI=1S/C15H27N3S/c1-12(2)15(14-6-5-9-19-14)16-10-13-11-17(3)7-8-18(13)4/h5-6,9,12-13,15-16H,7-8,10-11H2,1-4H3
InChIKeyBNADLJDSOZRPGB-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 115415600
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
1-(2,3-dichlorophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 103782974
1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111827029
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 63897986
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 61240692
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115718706
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
CID 114279927
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 63898738

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 63896511) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCC1CN(C)CCN1C)c1cccs1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is BNADLJDSOZRPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-12(2)15(14-6-5-9-19-14)16-10-13-11-17(3)7-8-18(13)4/h5-6,9,12-13,15-16H,7-8,10-11H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63896511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).