1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide

C12H24N4O — CID 83013697

IUPAC1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NN2CCN(C)CC2)C1
InChIInChI=1S/C12H24N4O/c1-10-7-12(8-10,9-13)11(17)14-16-5-3-15(2)4-6-16/h10H,3-9,13H2,1-2H3,(H,14,17)
InChIKeyUSRGXZSGHFNEGB-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.36
Rot. Bonds3

About 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide (PubChem CID 83013697) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
PubChem CID83013697
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NN2CCN(C)CC2)C1
InChIInChI=1S/C12H24N4O/c1-10-7-12(8-10,9-13)11(17)14-16-5-3-15(2)4-6-16/h10H,3-9,13H2,1-2H3,(H,14,17)
InChIKeyUSRGXZSGHFNEGB-UHFFFAOYSA-N
XLogP-0.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide (CID 83013697) is 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NN2CCN(C)CC2)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide?
The InChIKey is USRGXZSGHFNEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10-7-12(8-10,9-13)11(17)14-16-5-3-15(2)4-6-16/h10H,3-9,13H2,1-2H3,(H,14,17).
What are the key properties of 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-(4-methylpiperazin-1-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 83013697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).