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

C12H24N2O2 — CID 81168508

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
SMILESCOCCC(C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(4-7-16-2)14-11(15)8-12(9-13)5-3-6-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyPBIRBUSROKOBHH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds7

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

2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide (PubChem CID 81168508) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
PubChem CID81168508
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide
SMILESCOCCC(C)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H24N2O2/c1-10(4-7-16-2)14-11(15)8-12(9-13)5-3-6-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyPBIRBUSROKOBHH-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 81169185
2-[1-(aminomethyl)cyclobutyl]-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937901
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)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
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
1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161403
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
CID 81168821
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 81168869

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide (CID 81168508) is 2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide is COCCC(C)NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide?
The InChIKey is PBIRBUSROKOBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(4-7-16-2)14-11(15)8-12(9-13)5-3-6-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(4-methoxybutan-2-yl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 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-methoxybutan-2-yl)acetamide is sourced from PubChem (CID 81168508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).