1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide

C13H26N2O — CID 80598078

IUPAC1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCC(C)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)11(4)7-15-12(16)13(8-14)5-10(3)6-13/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyZEGGKEIOBSKTKY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.77
Rot. Bonds5

About 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80598078) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80598078
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCC(C)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)11(4)7-15-12(16)13(8-14)5-10(3)6-13/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyZEGGKEIOBSKTKY-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
CID 80587838
1-(aminomethyl)-3-methyl-N-(2,2,3-trimethylbutyl)cyclobutane-1-carboxamide
CID 114099712
1-(aminomethyl)-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80588146
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-(3-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80587048
1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
CID 82942792
N-(1-adamantyl)-1-(aminomethyl)-3-methylcyclobutane-1-carboxamide
CID 80587740
1-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 114133236
1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80599155
(2S)-3-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-2-hydroxypropanoic acid
CID 107835899

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide (CID 80598078) is 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NCC(C)C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is ZEGGKEIOBSKTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)11(4)7-15-12(16)13(8-14)5-10(3)6-13/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80598078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).