(E)-2,3-diamino-N-hexylprop-2-enamide

C9H19N3O — CID 89150750

IUPAC(E)-2,3-diamino-N-hexylprop-2-enamide
SMILESCCCCCCNC(=O)/C(N)=C\N
InChIInChI=1S/C9H19N3O/c1-2-3-4-5-6-12-9(13)8(11)7-10/h7H,2-6,10-11H2,1H3,(H,12,13)/b8-7+
InChIKeyIWBDQMCMDOBZPB-BQYQJAHWSA-N
MW185.27 g/mol
LogP0.44
Rot. Bonds6

About (E)-2,3-diamino-N-hexylprop-2-enamide

(E)-2,3-diamino-N-hexylprop-2-enamide (PubChem CID 89150750) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-2,3-diamino-N-hexylprop-2-enamide.

Molecular Properties

Compound Name(E)-2,3-diamino-N-hexylprop-2-enamide
PubChem CID89150750
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(E)-2,3-diamino-N-hexylprop-2-enamide
SMILESCCCCCCNC(=O)/C(N)=C\N
InChIInChI=1S/C9H19N3O/c1-2-3-4-5-6-12-9(13)8(11)7-10/h7H,2-6,10-11H2,1H3,(H,12,13)/b8-7+
InChIKeyIWBDQMCMDOBZPB-BQYQJAHWSA-N
XLogP0.44
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diheptyloxamide
CID 3417538
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
(E)-1-N'-dodecylprop-1-ene-1,1-diamine
CID 87082536
N-tetradecylpentanamide
CID 87172595
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
22-(docosanoylamino)docosanamide
CID 90926402
N'-octylhexanediamide
CID 18377759
N'-hexylbut-2-enediamide
CID 154301502
(Z)-N'-decylbut-2-enediamide
CID 87339219
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
pentylurea;hydrate
CID 172845599

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diamino-N-hexylprop-2-enamide?
The IUPAC name of (E)-2,3-diamino-N-hexylprop-2-enamide (CID 89150750) is (E)-2,3-diamino-N-hexylprop-2-enamide.
What is the SMILES notation for (E)-2,3-diamino-N-hexylprop-2-enamide?
The canonical SMILES for (E)-2,3-diamino-N-hexylprop-2-enamide is CCCCCCNC(=O)/C(N)=C\N.
What is the InChIKey of (E)-2,3-diamino-N-hexylprop-2-enamide?
The InChIKey is IWBDQMCMDOBZPB-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H19N3O/c1-2-3-4-5-6-12-9(13)8(11)7-10/h7H,2-6,10-11H2,1H3,(H,12,13)/b8-7+.
What are the key properties of (E)-2,3-diamino-N-hexylprop-2-enamide?
(E)-2,3-diamino-N-hexylprop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diamino-N-hexylprop-2-enamide is sourced from PubChem (CID 89150750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).