N,N'-bis(methylideneamino)dodecanediamide

C14H26N4O2 — CID 122685088

IUPACN,N'-bis(methylideneamino)dodecanediamide
SMILESC=NNC(=O)CCCCCCCCCCC(=O)NN=C
InChIInChI=1S/C14H26N4O2/c1-15-17-13(19)11-9-7-5-3-4-6-8-10-12-14(20)18-16-2/h1-12H2,(H,17,19)(H,18,20)
InChIKeyZWDGIAYDTSETMZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.35
Rot. Bonds13

About N,N'-bis(methylideneamino)dodecanediamide

N,N'-bis(methylideneamino)dodecanediamide (PubChem CID 122685088) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N,N'-bis(methylideneamino)dodecanediamide.

Molecular Properties

Compound NameN,N'-bis(methylideneamino)dodecanediamide
PubChem CID122685088
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN,N'-bis(methylideneamino)dodecanediamide
SMILESC=NNC(=O)CCCCCCCCCCC(=O)NN=C
InChIInChI=1S/C14H26N4O2/c1-15-17-13(19)11-9-7-5-3-4-6-8-10-12-14(20)18-16-2/h1-12H2,(H,17,19)(H,18,20)
InChIKeyZWDGIAYDTSETMZ-UHFFFAOYSA-N
XLogP2.35
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(pentan-3-ylideneamino)octanediamide
CID 4295045
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099
N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
CID 26864550
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-dimethylheptanediamide
CID 15166696
N,N'-bis(cyclohexylideneamino)heptanediamide
CID 4048049
N-(nonylideneamino)decanamide
CID 5084396
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N-(butylideneamino)heptanamide
CID 4641242

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(methylideneamino)dodecanediamide?
The IUPAC name of N,N'-bis(methylideneamino)dodecanediamide (CID 122685088) is N,N'-bis(methylideneamino)dodecanediamide.
What is the SMILES notation for N,N'-bis(methylideneamino)dodecanediamide?
The canonical SMILES for N,N'-bis(methylideneamino)dodecanediamide is C=NNC(=O)CCCCCCCCCCC(=O)NN=C.
What is the InChIKey of N,N'-bis(methylideneamino)dodecanediamide?
The InChIKey is ZWDGIAYDTSETMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-15-17-13(19)11-9-7-5-3-4-6-8-10-12-14(20)18-16-2/h1-12H2,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis(methylideneamino)dodecanediamide?
N,N'-bis(methylideneamino)dodecanediamide has a molecular weight of 282.39 g/mol, XLogP of 2.35, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(methylideneamino)dodecanediamide is sourced from PubChem (CID 122685088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).