1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine

C11H22N2 — CID 89255920

IUPAC1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine
SMILESCCC(C)(C)C(/C=N/C)=N/C(C)C
InChIInChI=1S/C11H22N2/c1-7-11(4,5)10(8-12-6)13-9(2)3/h8-9H,7H2,1-6H3/b12-8+,13-10+
InChIKeyXCVVJKQJUBZNPZ-SDCOAONHSA-N
MW182.31 g/mol
LogP2.97
Rot. Bonds4

About 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine

1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine (PubChem CID 89255920) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine
PubChem CID89255920
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine
SMILESCCC(C)(C)C(/C=N/C)=N/C(C)C
InChIInChI=1S/C11H22N2/c1-7-11(4,5)10(8-12-6)13-9(2)3/h8-9H,7H2,1-6H3/b12-8+,13-10+
InChIKeyXCVVJKQJUBZNPZ-SDCOAONHSA-N
XLogP2.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
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 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine?
The IUPAC name of 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine (CID 89255920) is 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine.
What is the SMILES notation for 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine?
The canonical SMILES for 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine is CCC(C)(C)C(/C=N/C)=N/C(C)C.
What is the InChIKey of 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine?
The InChIKey is XCVVJKQJUBZNPZ-SDCOAONHSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-11(4,5)10(8-12-6)13-9(2)3/h8-9H,7H2,1-6H3/b12-8+,13-10+.
What are the key properties of 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine?
1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine has a molecular weight of 182.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-2-N-propan-2-ylpentane-1,2-diimine is sourced from PubChem (CID 89255920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).