N,N'-bis(pentan-3-ylideneamino)octanediamide

C18H34N4O2 — CID 4295045

IUPACN,N'-bis(pentan-3-ylideneamino)octanediamide
SMILESCCC(CC)=NNC(=O)CCCCCCC(=O)NN=C(CC)CC
InChIInChI=1S/C18H34N4O2/c1-5-15(6-2)19-21-17(23)13-11-9-10-12-14-18(24)22-20-16(7-3)8-4/h5-14H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyCPJWWEQFVQIFNB-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.91
Rot. Bonds13

About N,N'-bis(pentan-3-ylideneamino)octanediamide

N,N'-bis(pentan-3-ylideneamino)octanediamide (PubChem CID 4295045) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N,N'-bis(pentan-3-ylideneamino)octanediamide.

Molecular Properties

Compound NameN,N'-bis(pentan-3-ylideneamino)octanediamide
PubChem CID4295045
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC NameN,N'-bis(pentan-3-ylideneamino)octanediamide
SMILESCCC(CC)=NNC(=O)CCCCCCC(=O)NN=C(CC)CC
InChIInChI=1S/C18H34N4O2/c1-5-15(6-2)19-21-17(23)13-11-9-10-12-14-18(24)22-20-16(7-3)8-4/h5-14H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyCPJWWEQFVQIFNB-UHFFFAOYSA-N
XLogP3.91
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.91
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-(2,4-dimethylpentan-3-ylideneamino)undecanamide
CID 5187619
3-methyl-N-(pentan-3-ylideneamino)butanamide
CID 4113176
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N-[(Z)-3-methylbutan-2-ylideneamino]nonanamide
CID 6005441
N,N'-bis[(E)-propylideneamino]dodecanediamide
CID 122685099
[(E)-decan-4-ylideneamino]urea
CID 121216482
N,N'-bis(methylideneamino)dodecanediamide
CID 122685088
3-(4-chlorophenyl)sulfanyl-N-(pentan-3-ylideneamino)propanamide
CID 3485730
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-bis(butylideneamino)octanediamide
CID 5050764

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(pentan-3-ylideneamino)octanediamide?
The IUPAC name of N,N'-bis(pentan-3-ylideneamino)octanediamide (CID 4295045) is N,N'-bis(pentan-3-ylideneamino)octanediamide.
What is the SMILES notation for N,N'-bis(pentan-3-ylideneamino)octanediamide?
The canonical SMILES for N,N'-bis(pentan-3-ylideneamino)octanediamide is CCC(CC)=NNC(=O)CCCCCCC(=O)NN=C(CC)CC.
What is the InChIKey of N,N'-bis(pentan-3-ylideneamino)octanediamide?
The InChIKey is CPJWWEQFVQIFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-5-15(6-2)19-21-17(23)13-11-9-10-12-14-18(24)22-20-16(7-3)8-4/h5-14H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(pentan-3-ylideneamino)octanediamide?
N,N'-bis(pentan-3-ylideneamino)octanediamide has a molecular weight of 338.50 g/mol, XLogP of 3.91, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(pentan-3-ylideneamino)octanediamide is sourced from PubChem (CID 4295045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).