2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone

C11H17N3O — CID 116599367

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)CC1(CN)CCC1
InChIInChI=1S/C11H17N3O/c1-14-6-5-13-10(14)9(15)7-11(8-12)3-2-4-11/h5-6H,2-4,7-8,12H2,1H3
InChIKeyGDIYCJUWXWARTM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.12
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone (PubChem CID 116599367) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone
PubChem CID116599367
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)CC1(CN)CCC1
InChIInChI=1S/C11H17N3O/c1-14-6-5-13-10(14)9(15)7-11(8-12)3-2-4-11/h5-6H,2-4,7-8,12H2,1H3
InChIKeyGDIYCJUWXWARTM-UHFFFAOYSA-N
XLogP1.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-1-(1-ethylimidazol-2-yl)ethanone
CID 116599518
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 81173284
2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 79078425
(1-ethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 114972980
2-[1-(aminomethyl)cyclobutyl]-1-pyridin-3-ylethanone
CID 116599471
2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114670623
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
CID 58066133
1-(1-methylimidazol-2-yl)-2-propan-2-ylsulfanylethanone
CID 65134336
3-(dimethylamino)-1-(1-methylimidazol-2-yl)propan-1-one
CID 115345823

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone (CID 116599367) is 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1C(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone?
The InChIKey is GDIYCJUWXWARTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-6-5-13-10(14)9(15)7-11(8-12)3-2-4-11/h5-6H,2-4,7-8,12H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 116599367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).