N-hexyl-3-iminobutanamide

C10H20N2O — CID 54137276

IUPACN-hexyl-3-iminobutanamide
SMILES[H]/N=C(\C)CC(=O)NCCCCCC
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-12-10(13)8-9(2)11/h11H,3-8H2,1-2H3,(H,12,13)/b11-9+
InChIKeyNYPLILKXIIPAJZ-PKNBQFBNSA-N
MW184.28 g/mol
LogP2.11
Rot. Bonds7

About N-hexyl-3-iminobutanamide

N-hexyl-3-iminobutanamide (PubChem CID 54137276) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-hexyl-3-iminobutanamide.

Molecular Properties

Compound NameN-hexyl-3-iminobutanamide
PubChem CID54137276
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-hexyl-3-iminobutanamide
SMILES[H]/N=C(\C)CC(=O)NCCCCCC
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-12-10(13)8-9(2)11/h11H,3-8H2,1-2H3,(H,12,13)/b11-9+
InChIKeyNYPLILKXIIPAJZ-PKNBQFBNSA-N
XLogP2.11
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.11
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-iminobutanamide?
The IUPAC name of N-hexyl-3-iminobutanamide (CID 54137276) is N-hexyl-3-iminobutanamide.
What is the SMILES notation for N-hexyl-3-iminobutanamide?
The canonical SMILES for N-hexyl-3-iminobutanamide is [H]/N=C(\C)CC(=O)NCCCCCC.
What is the InChIKey of N-hexyl-3-iminobutanamide?
The InChIKey is NYPLILKXIIPAJZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-6-7-12-10(13)8-9(2)11/h11H,3-8H2,1-2H3,(H,12,13)/b11-9+.
What are the key properties of N-hexyl-3-iminobutanamide?
N-hexyl-3-iminobutanamide has a molecular weight of 184.28 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-iminobutanamide is sourced from PubChem (CID 54137276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).