N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide

C17H32N4O2 — CID 26864550

IUPACN,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
SMILESCC(C)/C=N\NC(=O)CCCCCCCC(=O)N/N=C\C(C)C
InChIInChI=1S/C17H32N4O2/c1-14(2)12-18-20-16(22)10-8-6-5-7-9-11-17(23)21-19-13-15(3)4/h12-15H,5-11H2,1-4H3,(H,20,22)(H,21,23)/b18-12-,19-13-
InChIKeyDVWRBHKEYCPFKI-BKHHGCLFSA-N
MW324.47 g/mol
LogP3.23
Rot. Bonds12

About N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide

N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide (PubChem CID 26864550) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
PubChem CID26864550
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC NameN,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide
SMILESCC(C)/C=N\NC(=O)CCCCCCCC(=O)N/N=C\C(C)C
InChIInChI=1S/C17H32N4O2/c1-14(2)12-18-20-16(22)10-8-6-5-7-9-11-17(23)21-19-13-15(3)4/h12-15H,5-11H2,1-4H3,(H,20,22)(H,21,23)/b18-12-,19-13-
InChIKeyDVWRBHKEYCPFKI-BKHHGCLFSA-N
XLogP3.23
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.23
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[(E)-propylideneamino]dodecanediamide
CID 122685099
N-(2-phenylpropylideneamino)heptanamide
CID 4588696
N-benzyl-N'-(2-methylpropylideneamino)butanediamide
CID 4924753
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N-(nonylideneamino)decanamide
CID 5084396
N-(butylideneamino)heptanamide
CID 4641242
N-(nonylideneamino)octanamide
CID 4295690
N,N'-bis(but-2-enylideneamino)hexanediamide
CID 4148126
N-(2,4-dimethylpentan-3-ylideneamino)undecanamide
CID 5187619
N,N'-bis(methylideneamino)dodecanediamide
CID 122685088
N,N'-di(propan-2-yl)decanediamide
CID 58997511

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide?
The IUPAC name of N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide (CID 26864550) is N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide.
What is the SMILES notation for N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide?
The canonical SMILES for N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide is CC(C)/C=N\NC(=O)CCCCCCCC(=O)N/N=C\C(C)C.
What is the InChIKey of N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide?
The InChIKey is DVWRBHKEYCPFKI-BKHHGCLFSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-14(2)12-18-20-16(22)10-8-6-5-7-9-11-17(23)21-19-13-15(3)4/h12-15H,5-11H2,1-4H3,(H,20,22)(H,21,23)/b18-12-,19-13-.
What are the key properties of N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide?
N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide has a molecular weight of 324.47 g/mol, XLogP of 3.23, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-2-methylpropylideneamino]nonanediamide is sourced from PubChem (CID 26864550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).