1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide

C12H24N2O — CID 80587838

IUPAC1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
SMILESCCC(C)CNC(=O)C1(CN)CC(C)C1
InChIInChI=1S/C12H24N2O/c1-4-9(2)7-14-11(15)12(8-13)5-10(3)6-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyZACMZNVXMYGPOM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.52
Rot. Bonds5

About 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide (PubChem CID 80587838) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
PubChem CID80587838
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
SMILESCCC(C)CNC(=O)C1(CN)CC(C)C1
InChIInChI=1S/C12H24N2O/c1-4-9(2)7-14-11(15)12(8-13)5-10(3)6-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyZACMZNVXMYGPOM-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide
CID 80598078
1-carbamothioyl-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
CID 80590120
1-(aminomethyl)-3-methyl-N-(2,2,3-trimethylbutyl)cyclobutane-1-carboxamide
CID 114099712
1-(aminomethyl)-N-(3-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80587048
1-(aminomethyl)-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588146
1-(aminomethyl)-N-butan-2-yl-N,3-dimethylcyclobutane-1-carboxamide
CID 80588524
1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
CID 82942792
1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114094852
1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
CID 80588679
1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide
CID 80598794
1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 114133236
1-(aminomethyl)-N-[2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587365

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide (CID 80587838) is 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide is CCC(C)CNC(=O)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide?
The InChIKey is ZACMZNVXMYGPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-9(2)7-14-11(15)12(8-13)5-10(3)6-12/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80587838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).