2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide

C13H26N2O — CID 106328639

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CC)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C13H26N2O/c1-4-12(3,5-2)15-11(16)9-13(10-14)7-6-8-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyXTVKHAQQWAOZIW-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide (PubChem CID 106328639) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide
PubChem CID106328639
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CC)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C13H26N2O/c1-4-12(3,5-2)15-11(16)9-13(10-14)7-6-8-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyXTVKHAQQWAOZIW-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-(3-methylpentan-3-yl)acetamide
CID 103811399
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-2-methylpentanoic acid
CID 81172480
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 81169789
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103558267
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide (CID 106328639) is 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide is CCC(C)(CC)NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide?
The InChIKey is XTVKHAQQWAOZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-12(3,5-2)15-11(16)9-13(10-14)7-6-8-13/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 106328639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).