2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide

C13H27N3O — CID 81169185

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide
SMILESCC(CCN(C)C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C13H27N3O/c1-11(5-8-16(2)3)15-12(17)9-13(10-14)6-4-7-13/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyXWXJWIILHPKNSY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide (PubChem CID 81169185) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide
PubChem CID81169185
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide
SMILESCC(CCN(C)C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C13H27N3O/c1-11(5-8-16(2)3)15-12(17)9-13(10-14)6-4-7-13/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyXWXJWIILHPKNSY-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937901
2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
CID 81168508
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 112547674
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
CID 114417116
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 81171717
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
(2S)-2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3-methylpentanoic acid
CID 81172961
2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
CID 104678084
2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 81168869
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide (CID 81169185) is 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide is CC(CCN(C)C)NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide?
The InChIKey is XWXJWIILHPKNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(5-8-16(2)3)15-12(17)9-13(10-14)6-4-7-13/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide is sourced from PubChem (CID 81169185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).