6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide

C11H20N4O — CID 19065170

IUPAC6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
SMILESNCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H20N4O/c12-6-3-1-2-4-11(16)14-7-5-10-8-13-9-15-10/h8-9H,1-7,12H2,(H,13,15)(H,14,16)
InChIKeyRYEBECHCSCRVBJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.59
Rot. Bonds8

About 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide

6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide (PubChem CID 19065170) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
PubChem CID19065170
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
SMILESNCCCCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H20N4O/c12-6-3-1-2-4-11(16)14-7-5-10-8-13-9-15-10/h8-9H,1-7,12H2,(H,13,15)(H,14,16)
InChIKeyRYEBECHCSCRVBJ-UHFFFAOYSA-N
XLogP0.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
CID 171117231
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
CID 171117216
(9E,12E)-N-[2-(1H-imidazol-5-yl)ethyl]octadeca-9,12-dienamide
CID 171117223
N-[2-(1H-imidazol-5-yl)ethyl]-6,8-bis(sulfanyl)octanamide
CID 162470683
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 110205924
(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 171117235

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide (CID 19065170) is 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide is NCCCCCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide?
The InChIKey is RYEBECHCSCRVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-6-3-1-2-4-11(16)14-7-5-10-8-13-9-15-10/h8-9H,1-7,12H2,(H,13,15)(H,14,16).
What are the key properties of 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide?
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide has a molecular weight of 224.31 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide is sourced from PubChem (CID 19065170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).