N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide

C11H20N4O — CID 67935086

IUPACN-[4-(2-aminoethyl)imidazol-1-yl]hexanamide
SMILESCCCCCC(=O)Nn1cnc(CCN)c1
InChIInChI=1S/C11H20N4O/c1-2-3-4-5-11(16)14-15-8-10(6-7-12)13-9-15/h8-9H,2-7,12H2,1H3,(H,14,16)
InChIKeyXBJLPNVYEJNOGR-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.03
Rot. Bonds7

About N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide

N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide (PubChem CID 67935086) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)imidazol-1-yl]hexanamide
PubChem CID67935086
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[4-(2-aminoethyl)imidazol-1-yl]hexanamide
SMILESCCCCCC(=O)Nn1cnc(CCN)c1
InChIInChI=1S/C11H20N4O/c1-2-3-4-5-11(16)14-15-8-10(6-7-12)13-9-15/h8-9H,2-7,12H2,1H3,(H,14,16)
InChIKeyXBJLPNVYEJNOGR-UHFFFAOYSA-N
XLogP1.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,4-triazol-4-yl)nonanamide
CID 5150986
(2S)-2-amino-3-[1-(hexanoylcarbamoyl)imidazol-4-yl]propanoic acid
CID 67901520
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
CID 122129869
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-pyrimidin-4-yltetradecanamide
CID 54258014
N-(4-chlorophenyl)tridecanamide
CID 4195215
[4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone
CID 112532393
N'-(pyridin-4-ylmethyl)octadecanehydrazide
CID 154115968

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide?
The IUPAC name of N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide (CID 67935086) is N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide.
What is the SMILES notation for N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide?
The canonical SMILES for N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide is CCCCCC(=O)Nn1cnc(CCN)c1.
What is the InChIKey of N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide?
The InChIKey is XBJLPNVYEJNOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-3-4-5-11(16)14-15-8-10(6-7-12)13-9-15/h8-9H,2-7,12H2,1H3,(H,14,16).
What are the key properties of N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide?
N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide has a molecular weight of 224.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)imidazol-1-yl]hexanamide is sourced from PubChem (CID 67935086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).