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

C12H21N3O — CID 81168477

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide
SMILESCCC(CC#N)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H21N3O/c1-2-10(4-7-13)15-11(16)8-12(9-14)5-3-6-12/h10H,2-6,8-9,14H2,1H3,(H,15,16)
InChIKeyHYSNKWHYHBDYIO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.31
Rot. Bonds6

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

2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide (PubChem CID 81168477) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide
PubChem CID81168477
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide
SMILESCCC(CC#N)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H21N3O/c1-2-10(4-7-13)15-11(16)8-12(9-14)5-3-6-12/h10H,2-6,8-9,14H2,1H3,(H,15,16)
InChIKeyHYSNKWHYHBDYIO-UHFFFAOYSA-N
XLogP1.31
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide
CID 64679480
1-[2-(1-cyanobutan-2-ylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62651646
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
CID 114417116
(2S)-2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3-methylpentanoic acid
CID 81172961
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137
6-amino-N-(1-cyanobutan-2-yl)hexanamide
CID 62645663
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
2-[1-(aminomethyl)cyclobutyl]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937901
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
CID 104677924

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide (CID 81168477) is 2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide is CCC(CC#N)NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide?
The InChIKey is HYSNKWHYHBDYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-10(4-7-13)15-11(16)8-12(9-14)5-3-6-12/h10H,2-6,8-9,14H2,1H3,(H,15,16).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(1-cyanobutan-2-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.31, 6 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-(1-cyanobutan-2-yl)acetamide is sourced from PubChem (CID 81168477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).