1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide

C13H26N2O2 — CID 82942792

IUPAC1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
SMILESCCCOCCCNC(=O)C1(CN)CC(C)C1
InChIInChI=1S/C13H26N2O2/c1-3-6-17-7-4-5-15-12(16)13(10-14)8-11(2)9-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyDJIIAZJEYFSXHO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds8

About 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide (PubChem CID 82942792) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
PubChem CID82942792
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
SMILESCCCOCCCNC(=O)C1(CN)CC(C)C1
InChIInChI=1S/C13H26N2O2/c1-3-6-17-7-4-5-15-12(16)13(10-14)8-11(2)9-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyDJIIAZJEYFSXHO-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(3-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80587048
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-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
CID 115452262
1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
CID 80587838
1-carbamothioyl-N-(3-propoxypropyl)cyclopropane-1-carboxamide
CID 82940735
1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide
CID 80598078
1-(aminomethyl)-3-methyl-N-(2-pyrazol-1-ylethyl)cyclobutane-1-carboxamide
CID 80587901
1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114135899
1-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80587190
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide
CID 166661442
7-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]heptanoic acid
CID 115441839

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide (CID 82942792) is 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide is CCCOCCCNC(=O)C1(CN)CC(C)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide?
The InChIKey is DJIIAZJEYFSXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-6-17-7-4-5-15-12(16)13(10-14)8-11(2)9-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 82942792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).