N'-(3,3-diethylpentan-2-yl)methanediimine

C10H20N2 — CID 87627356

IUPACN'-(3,3-diethylpentan-2-yl)methanediimine
SMILESCCC(CC)(CC)C(C)N=C=N
InChIInChI=1S/C10H20N2/c1-5-10(6-2,7-3)9(4)12-8-11/h9,11H,5-7H2,1-4H3
InChIKeyLGECIIWMOIAIHC-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.34
Rot. Bonds5

About N'-(3,3-diethylpentan-2-yl)methanediimine

N'-(3,3-diethylpentan-2-yl)methanediimine (PubChem CID 87627356) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-(3,3-diethylpentan-2-yl)methanediimine.

Molecular Properties

Compound NameN'-(3,3-diethylpentan-2-yl)methanediimine
PubChem CID87627356
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-(3,3-diethylpentan-2-yl)methanediimine
SMILESCCC(CC)(CC)C(C)N=C=N
InChIInChI=1S/C10H20N2/c1-5-10(6-2,7-3)9(4)12-8-11/h9,11H,5-7H2,1-4H3
InChIKeyLGECIIWMOIAIHC-UHFFFAOYSA-N
XLogP3.34
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,3-diethylpentan-2-yl)methanediimine?
The IUPAC name of N'-(3,3-diethylpentan-2-yl)methanediimine (CID 87627356) is N'-(3,3-diethylpentan-2-yl)methanediimine.
What is the SMILES notation for N'-(3,3-diethylpentan-2-yl)methanediimine?
The canonical SMILES for N'-(3,3-diethylpentan-2-yl)methanediimine is CCC(CC)(CC)C(C)N=C=N.
What is the InChIKey of N'-(3,3-diethylpentan-2-yl)methanediimine?
The InChIKey is LGECIIWMOIAIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-10(6-2,7-3)9(4)12-8-11/h9,11H,5-7H2,1-4H3.
What are the key properties of N'-(3,3-diethylpentan-2-yl)methanediimine?
N'-(3,3-diethylpentan-2-yl)methanediimine has a molecular weight of 168.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-diethylpentan-2-yl)methanediimine is sourced from PubChem (CID 87627356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).