2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane

C25H50N4 — CID 172953973

IUPAC2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane
SMILESCC(C)=N/N=C(/C)C/C(C)=N\N=C(C)C.CCCCCCC(C)CCCCCC
InChIInChI=1S/C14H30.C11H20N4/c1-4-6-8-10-12-14(3)13-11-9-7-5-2;1-8(2)12-14-10(5)7-11(6)15-13-9(3)4/h14H,4-13H2,1-3H3;7H2,1-6H3/b;14-10-,15-11-
InChIKeyPHTHHZOZGINIBN-GTBDSMFASA-N
MW406.70 g/mol
LogP8.65
Rot. Bonds14

About 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane

2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane (PubChem CID 172953973) has the molecular formula C25H50N4 and a molecular weight of 406.70 g/mol. Its IUPAC name is 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane.

Molecular Properties

Compound Name2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane
PubChem CID172953973
Molecular FormulaC25H50N4
Molecular Weight406.70 g/mol
Exact Mass406.40
IUPAC Name2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane
SMILESCC(C)=N/N=C(/C)C/C(C)=N\N=C(C)C.CCCCCCC(C)CCCCCC
InChIInChI=1S/C14H30.C11H20N4/c1-4-6-8-10-12-14(3)13-11-9-7-5-2;1-8(2)12-14-10(5)7-11(6)15-13-9(3)4/h14H,4-13H2,1-3H3;7H2,1-6H3/b;14-10-,15-11-
InChIKeyPHTHHZOZGINIBN-GTBDSMFASA-N
XLogP8.65
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 58.65
H-Bond Donors ≤ 50
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

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1-Cyclododecyl-2-diazocyclododecane
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3-Pentyl-6-(4-pentylcyclohexyl)-4,5-dihydropyridazine
CID 20456711
Diazobicycloundecane
CID 22171225
8,10-Dihexylheptadecan-9-imine
CID 57042993
9,11-Diethylnonadecan-10-imine
CID 57188736
N-(hexadecan-2-ylideneamino)-3-methyloctadecan-4-imine
CID 57224776
2-Methyl-7-(6-methylheptyl)pentadecan-6-imine
CID 88465287
18-Methyl-10-(6-methylheptyl)nonadecan-9-imine
CID 88465293
3,4,6-Triethyl-4,5-dihydropyridazine
CID 89351667

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane?
The IUPAC name of 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane (CID 172953973) is 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane.
What is the SMILES notation for 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane?
The canonical SMILES for 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane is CC(C)=N/N=C(/C)C/C(C)=N\N=C(C)C.CCCCCCC(C)CCCCCC.
What is the InChIKey of 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane?
The InChIKey is PHTHHZOZGINIBN-GTBDSMFASA-N. The full InChI is InChI=1S/C14H30.C11H20N4/c1-4-6-8-10-12-14(3)13-11-9-7-5-2;1-8(2)12-14-10(5)7-11(6)15-13-9(3)4/h14H,4-13H2,1-3H3;7H2,1-6H3/b;14-10-,15-11-.
What are the key properties of 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane?
2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane has a molecular weight of 406.70 g/mol, XLogP of 8.65, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(propan-2-ylideneamino)pentane-2,4-diimine;7-methyltridecane is sourced from PubChem (CID 172953973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).