(hex-5-enylamino) hexanoate;1H-imidazole

C15H27N3O2 — CID 175490115

IUPAC(hex-5-enylamino) hexanoate;1H-imidazole
SMILESC=CCCCCNOC(=O)CCCCC.c1c[nH]cn1
InChIInChI=1S/C12H23NO2.C3H4N2/c1-3-5-7-9-11-13-15-12(14)10-8-6-4-2;1-2-5-3-4-1/h3,13H,1,4-11H2,2H3;1-3H,(H,4,5)
InChIKeyQXWKZUOBKFKVEH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.38
Rot. Bonds10

About (hex-5-enylamino) hexanoate;1H-imidazole

(hex-5-enylamino) hexanoate;1H-imidazole (PubChem CID 175490115) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (hex-5-enylamino) hexanoate;1H-imidazole.

Molecular Properties

Compound Name(hex-5-enylamino) hexanoate;1H-imidazole
PubChem CID175490115
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(hex-5-enylamino) hexanoate;1H-imidazole
SMILESC=CCCCCNOC(=O)CCCCC.c1c[nH]cn1
InChIInChI=1S/C12H23NO2.C3H4N2/c1-3-5-7-9-11-13-15-12(14)10-8-6-4-2;1-2-5-3-4-1/h3,13H,1,4-11H2,2H3;1-3H,(H,4,5)
InChIKeyQXWKZUOBKFKVEH-UHFFFAOYSA-N
XLogP3.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1H-imidazole;non-1-ene
CID 118472406
[[(Z)-octadec-9-enyl]amino] hexadecanoate
CID 155150078
ethyl octanoate;1H-imidazole
CID 175401289
(hexylamino) octanoate
CID 174754807
(dodecylamino) octanoate
CID 175102615
(nonylamino) butanoate
CID 167224180
ethyl pentanoate;1H-imidazole
CID 175410949
dec-1-ene;dec-9-enoic acid
CID 87497067
heptyl hept-6-enoate
CID 129220829
hex-5-enyl decanoate
CID 166881880
hept-6-enyl nonanoate
CID 146588194
hexyl oct-7-enoate
CID 91748282

Frequently Asked Questions

What is the IUPAC name of (hex-5-enylamino) hexanoate;1H-imidazole?
The IUPAC name of (hex-5-enylamino) hexanoate;1H-imidazole (CID 175490115) is (hex-5-enylamino) hexanoate;1H-imidazole.
What is the SMILES notation for (hex-5-enylamino) hexanoate;1H-imidazole?
The canonical SMILES for (hex-5-enylamino) hexanoate;1H-imidazole is C=CCCCCNOC(=O)CCCCC.c1c[nH]cn1.
What is the InChIKey of (hex-5-enylamino) hexanoate;1H-imidazole?
The InChIKey is QXWKZUOBKFKVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C3H4N2/c1-3-5-7-9-11-13-15-12(14)10-8-6-4-2;1-2-5-3-4-1/h3,13H,1,4-11H2,2H3;1-3H,(H,4,5).
What are the key properties of (hex-5-enylamino) hexanoate;1H-imidazole?
(hex-5-enylamino) hexanoate;1H-imidazole has a molecular weight of 281.40 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (hex-5-enylamino) hexanoate;1H-imidazole is sourced from PubChem (CID 175490115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).