N-hexyl-4-iminopent-2-enamide

C11H20N2O — CID 123662070

IUPACN-hexyl-4-iminopent-2-enamide
SMILES[H]/N=C(\C)C=CC(=O)NCCCCCC
InChIInChI=1S/C11H20N2O/c1-3-4-5-6-9-13-11(14)8-7-10(2)12/h7-8,12H,3-6,9H2,1-2H3,(H,13,14)/b8-7?,12-10+
InChIKeyGZSZGBWMUXBPRH-ASKXDLKRSA-N
MW196.29 g/mol
LogP2.28
Rot. Bonds7

About N-hexyl-4-iminopent-2-enamide

N-hexyl-4-iminopent-2-enamide (PubChem CID 123662070) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-hexyl-4-iminopent-2-enamide.

Molecular Properties

Compound NameN-hexyl-4-iminopent-2-enamide
PubChem CID123662070
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-hexyl-4-iminopent-2-enamide
SMILES[H]/N=C(\C)C=CC(=O)NCCCCCC
InChIInChI=1S/C11H20N2O/c1-3-4-5-6-9-13-11(14)8-7-10(2)12/h7-8,12H,3-6,9H2,1-2H3,(H,13,14)/b8-7?,12-10+
InChIKeyGZSZGBWMUXBPRH-ASKXDLKRSA-N
XLogP2.28
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-hexylbut-2-enediamide
CID 154301502
(Z)-N'-decylbut-2-enediamide
CID 87339219
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 101160253
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
CID 174988746
methyl (Z)-4-(hexylamino)-4-oxobut-2-enoate
CID 6442503
ethyl (Z)-4-(dodecylamino)-4-oxobut-2-enoate
CID 139670344
butyl (Z)-4-(dodecylamino)-4-oxobut-2-enoate
CID 139670311
(Z)-4-[[(Z)-docos-13-enyl]amino]-4-oxobut-2-enoic acid
CID 86748487
(E)-N-hexyl-3-hydroxybut-2-enamide
CID 144650369
N-heptadecylprop-2-enamide
CID 20727742
(E)-N-butyldec-2-enamide
CID 160628271

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-iminopent-2-enamide?
The IUPAC name of N-hexyl-4-iminopent-2-enamide (CID 123662070) is N-hexyl-4-iminopent-2-enamide.
What is the SMILES notation for N-hexyl-4-iminopent-2-enamide?
The canonical SMILES for N-hexyl-4-iminopent-2-enamide is [H]/N=C(\C)C=CC(=O)NCCCCCC.
What is the InChIKey of N-hexyl-4-iminopent-2-enamide?
The InChIKey is GZSZGBWMUXBPRH-ASKXDLKRSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-5-6-9-13-11(14)8-7-10(2)12/h7-8,12H,3-6,9H2,1-2H3,(H,13,14)/b8-7?,12-10+.
What are the key properties of N-hexyl-4-iminopent-2-enamide?
N-hexyl-4-iminopent-2-enamide has a molecular weight of 196.29 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-iminopent-2-enamide is sourced from PubChem (CID 123662070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).