2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine

C22H44N6 — CID 54110003

IUPAC2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine
SMILESC/N=C(C)/C(C)=N/C.C/N=C(\C)C(C)(C)/C(C)=N/C.CC(C)=NCN=C(C)C
InChIInChI=1S/C9H18N2.C7H14N2.C6H12N2/c1-7(10-5)9(3,4)8(2)11-6;1-6(2)8-5-9-7(3)4;1-5(7-3)6(2)8-4/h1-6H3;5H2,1-4H3;1-4H3/b10-7+,11-8+;;7-5+,8-6+
InChIKeyNGKQYFNSGIADOI-VIMCQZPVSA-N
MW392.64 g/mol
LogP5.27
Rot. Bonds5

About 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine

2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine (PubChem CID 54110003) has the molecular formula C22H44N6 and a molecular weight of 392.64 g/mol. Its IUPAC name is 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine.

Molecular Properties

Compound Name2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine
PubChem CID54110003
Molecular FormulaC22H44N6
Molecular Weight392.64 g/mol
Exact Mass392.36
IUPAC Name2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine
SMILESC/N=C(C)/C(C)=N/C.C/N=C(\C)C(C)(C)/C(C)=N/C.CC(C)=NCN=C(C)C
InChIInChI=1S/C9H18N2.C7H14N2.C6H12N2/c1-7(10-5)9(3,4)8(2)11-6;1-6(2)8-5-9-7(3)4;1-5(7-3)6(2)8-4/h1-6H3;5H2,1-4H3;1-4H3/b10-7+,11-8+;;7-5+,8-6+
InChIKeyNGKQYFNSGIADOI-VIMCQZPVSA-N
XLogP5.27
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.64
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine?
The IUPAC name of 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine (CID 54110003) is 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine.
What is the SMILES notation for 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine?
The canonical SMILES for 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine is C/N=C(C)/C(C)=N/C.C/N=C(\C)C(C)(C)/C(C)=N/C.CC(C)=NCN=C(C)C.
What is the InChIKey of 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine?
The InChIKey is NGKQYFNSGIADOI-VIMCQZPVSA-N. The full InChI is InChI=1S/C9H18N2.C7H14N2.C6H12N2/c1-7(10-5)9(3,4)8(2)11-6;1-6(2)8-5-9-7(3)4;1-5(7-3)6(2)8-4/h1-6H3;5H2,1-4H3;1-4H3/b10-7+,11-8+;;7-5+,8-6+.
What are the key properties of 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine?
2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine has a molecular weight of 392.64 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dimethylbutane-2,3-diimine;N-[(propan-2-ylideneamino)methyl]propan-2-imine;2-N,4-N,3,3-tetramethylpentane-2,4-diimine is sourced from PubChem (CID 54110003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).