N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine

C16H27N3S — CID 107556834

IUPACN-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCCC1CN(Cc2ccc(CNC3CC3)s2)CCN1C
InChIInChI=1S/C16H27N3S/c1-3-14-11-19(9-8-18(14)2)12-16-7-6-15(20-16)10-17-13-4-5-13/h6-7,13-14,17H,3-5,8-12H2,1-2H3
InChIKeyFGWSJLMKGBKDNQ-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.53
Rot. Bonds6

About N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107556834) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107556834
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCCC1CN(Cc2ccc(CNC3CC3)s2)CCN1C
InChIInChI=1S/C16H27N3S/c1-3-14-11-19(9-8-18(14)2)12-16-7-6-15(20-16)10-17-13-4-5-13/h6-7,13-14,17H,3-5,8-12H2,1-2H3
InChIKeyFGWSJLMKGBKDNQ-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556838
N-[[5-[(2-ethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555922
N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906584
N-[[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555649
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557262
N-[[5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556747
N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556778
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557670
N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107555459
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557061
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 55217199
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556031

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107556834) is N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine is CCC1CN(Cc2ccc(CNC3CC3)s2)CCN1C.
What is the InChIKey of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is FGWSJLMKGBKDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-14-11-19(9-8-18(14)2)12-16-7-6-15(20-16)10-17-13-4-5-13/h6-7,13-14,17H,3-5,8-12H2,1-2H3.
What are the key properties of N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 293.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107556834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).