2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide

C14H27N3O2 — CID 81179363

IUPAC2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)7-11(13(19)16-3)17-12(18)8-14(9-15)5-4-6-14/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyGVKRXEOZKNDGLD-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.78
Rot. Bonds7

About 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide

2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide (PubChem CID 81179363) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide
PubChem CID81179363
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)7-11(13(19)16-3)17-12(18)8-14(9-15)5-4-6-14/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyGVKRXEOZKNDGLD-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
1-(aminomethyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 115434776
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
CID 114417116
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915392
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclobutyl]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937901
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
CID 81168508
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 81169185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide (CID 81179363) is 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide?
The InChIKey is GVKRXEOZKNDGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)7-11(13(19)16-3)17-12(18)8-14(9-15)5-4-6-14/h10-11H,4-9,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide?
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide has a molecular weight of 269.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 81179363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).