1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide

C11H18N4O — CID 81171638

IUPAC1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCn1ccnc1CCNC(=O)C1(N)CCC1
InChIInChI=1S/C11H18N4O/c1-15-8-7-13-9(15)3-6-14-10(16)11(12)4-2-5-11/h7-8H,2-6,12H2,1H3,(H,14,16)
InChIKeyJKVJOWYQYLZRFJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.04
Rot. Bonds4

About 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide

1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 81171638) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID81171638
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCn1ccnc1CCNC(=O)C1(N)CCC1
InChIInChI=1S/C11H18N4O/c1-15-8-7-13-9(15)3-6-14-10(16)11(12)4-2-5-11/h7-8H,2-6,12H2,1H3,(H,14,16)
InChIKeyJKVJOWYQYLZRFJ-UHFFFAOYSA-N
XLogP-0.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 114527749
1-amino-N-[2-(2-methylimidazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 119869306
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119858993
1-amino-N-[4-(2-methylimidazol-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119892474
4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115293095

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide (CID 81171638) is 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide is Cn1ccnc1CCNC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is JKVJOWYQYLZRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-8-7-13-9(15)3-6-14-10(16)11(12)4-2-5-11/h7-8H,2-6,12H2,1H3,(H,14,16).
What are the key properties of 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide?
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 222.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81171638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).