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

C12H24N2O — CID 81179592

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H24N2O/c1-9(2)10(3)14-11(15)7-12(8-13)5-4-6-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyNWVDGNOJXMRBRO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.67
Rot. Bonds5

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

2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 81179592) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID81179592
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H24N2O/c1-9(2)10(3)14-11(15)7-12(8-13)5-4-6-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyNWVDGNOJXMRBRO-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
CID 114417116
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-[4-(dimethylamino)butan-2-yl]acetamide
CID 81169185
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
(2S)-2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-3-methylpentanoic acid
CID 81172961
2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,4-dimethylpentanamide
CID 81179363
4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 112547674
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 81349203
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
CID 104677624

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide (CID 81179592) is 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is NWVDGNOJXMRBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)10(3)14-11(15)7-12(8-13)5-4-6-12/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 212.34 g/mol, XLogP of 1.67, 5 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-methylbutan-2-yl)acetamide is sourced from PubChem (CID 81179592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).