1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine

C10H20N2 — CID 123304370

IUPAC1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine
SMILESCC/N=C/C(CC(C)(C)C)=N\C
InChIInChI=1S/C10H20N2/c1-6-12-8-9(11-5)7-10(2,3)4/h8H,6-7H2,1-5H3/b11-9-,12-8+
InChIKeyCZGBWWPXZMAZCP-NFDHXRNHSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds3

About 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine

1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine (PubChem CID 123304370) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine.

Molecular Properties

Compound Name1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine
PubChem CID123304370
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine
SMILESCC/N=C/C(CC(C)(C)C)=N\C
InChIInChI=1S/C10H20N2/c1-6-12-8-9(11-5)7-10(2,3)4/h8H,6-7H2,1-5H3/b11-9-,12-8+
InChIKeyCZGBWWPXZMAZCP-NFDHXRNHSA-N
XLogP2.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine?
The IUPAC name of 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine (CID 123304370) is 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine.
What is the SMILES notation for 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine?
The canonical SMILES for 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine is CC/N=C/C(CC(C)(C)C)=N\C.
What is the InChIKey of 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine?
The InChIKey is CZGBWWPXZMAZCP-NFDHXRNHSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-12-8-9(11-5)7-10(2,3)4/h8H,6-7H2,1-5H3/b11-9-,12-8+.
What are the key properties of 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine?
1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine has a molecular weight of 168.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,4,4-trimethylpentane-1,2-diimine is sourced from PubChem (CID 123304370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).