2-(diaminomethylideneamino)-N-octylacetamide

C11H24N4O — CID 126489035

IUPAC2-(diaminomethylideneamino)-N-octylacetamide
SMILESCCCCCCCCNC(=O)CN=C(N)N
InChIInChI=1S/C11H24N4O/c1-2-3-4-5-6-7-8-14-10(16)9-15-11(12)13/h2-9H2,1H3,(H,14,16)(H4,12,13,15)
InChIKeyKRFNIGCMJCRDLD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.74
Rot. Bonds9

About 2-(diaminomethylideneamino)-N-octylacetamide

2-(diaminomethylideneamino)-N-octylacetamide (PubChem CID 126489035) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-octylacetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-octylacetamide
PubChem CID126489035
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-(diaminomethylideneamino)-N-octylacetamide
SMILESCCCCCCCCNC(=O)CN=C(N)N
InChIInChI=1S/C11H24N4O/c1-2-3-4-5-6-7-8-14-10(16)9-15-11(12)13/h2-9H2,1H3,(H,14,16)(H4,12,13,15)
InChIKeyKRFNIGCMJCRDLD-UHFFFAOYSA-N
XLogP0.74
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
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': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032059
N'-octylhexanediamide
CID 18377759
N'-docosyldocosanediamide
CID 91257562
N'-dodecylbutanediamide
CID 19973702
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-icosylbutanediamide
CID 175408923
22-(docosanoylamino)docosanamide
CID 90926402
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide
CID 11266997
(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
CID 43156042
N-pentylicosanamide
CID 139961886
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N-octylacetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-octylacetamide (CID 126489035) is 2-(diaminomethylideneamino)-N-octylacetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-octylacetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-octylacetamide is CCCCCCCCNC(=O)CN=C(N)N.
What is the InChIKey of 2-(diaminomethylideneamino)-N-octylacetamide?
The InChIKey is KRFNIGCMJCRDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-2-3-4-5-6-7-8-14-10(16)9-15-11(12)13/h2-9H2,1H3,(H,14,16)(H4,12,13,15).
What are the key properties of 2-(diaminomethylideneamino)-N-octylacetamide?
2-(diaminomethylideneamino)-N-octylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-octylacetamide is sourced from PubChem (CID 126489035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).