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

C11H22N2O2 — CID 81168821

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
SMILESCC(O)CCNC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H22N2O2/c1-9(14)3-6-13-10(15)7-11(8-12)4-2-5-11/h9,14H,2-8,12H2,1H3,(H,13,15)
InChIKeyKIHQBJLYRWVTHC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds6

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

2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide (PubChem CID 81168821) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
PubChem CID81168821
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide
SMILESCC(O)CCNC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H22N2O2/c1-9(14)3-6-13-10(15)7-11(8-12)4-2-5-11/h9,14H,2-8,12H2,1H3,(H,13,15)
InChIKeyKIHQBJLYRWVTHC-UHFFFAOYSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide
CID 81169665
2-[1-(aminomethyl)cyclobutyl]-N-(4-propan-2-yloxybutyl)acetamide
CID 114137021
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide (CID 81168821) is 2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide is CC(O)CCNC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide?
The InChIKey is KIHQBJLYRWVTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(14)3-6-13-10(15)7-11(8-12)4-2-5-11/h9,14H,2-8,12H2,1H3,(H,13,15).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(3-hydroxybutyl)acetamide is sourced from PubChem (CID 81168821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).