2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione

C16H40N4O2 — CID 159734996

IUPAC2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione
SMILESC.C.C/N=C(\C)C/C(C)=N/C.CC(=O)CC(C)=O.CN.CN
InChIInChI=1S/C7H14N2.C5H8O2.2CH5N.2CH4/c1-6(8-3)5-7(2)9-4;1-4(6)3-5(2)7;2*1-2;;/h5H2,1-4H3;3H2,1-2H3;2*2H2,1H3;2*1H4/b8-6+,9-7+;;;;;
InChIKeyNBSJXDWYONVIGU-FYXHUZNQSA-N
MW320.52 g/mol
LogP2.53
Rot. Bonds4

About 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione

2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione (PubChem CID 159734996) has the molecular formula C16H40N4O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione.

Molecular Properties

Compound Name2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione
PubChem CID159734996
Molecular FormulaC16H40N4O2
Molecular Weight320.52 g/mol
Exact Mass320.32
IUPAC Name2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione
SMILESC.C.C/N=C(\C)C/C(C)=N/C.CC(=O)CC(C)=O.CN.CN
InChIInChI=1S/C7H14N2.C5H8O2.2CH5N.2CH4/c1-6(8-3)5-7(2)9-4;1-4(6)3-5(2)7;2*1-2;;/h5H2,1-4H3;3H2,1-2H3;2*2H2,1H3;2*1H4/b8-6+,9-7+;;;;;
InChIKeyNBSJXDWYONVIGU-FYXHUZNQSA-N
XLogP2.53
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(Aminomethylimino)butan-1-one;bis(butane-1,3-dione);carbanide;methanediamine;tris(yttrium);hydrate
CID 157124816
ethanamine;N-ethylpentan-2-imine;pentan-2-one
CID 159085250
CID 159275371
CID 159275371
2-N,3-N-dimethylbutane-2,3-diimine;ethane;methanamine;N-methylbutan-2-imine;3-methyliminobutan-2-one
CID 159316537
butan-2-imine;ethane;3-iminobutan-2-one;methanamine;3-N-methylbutane-2,3-diimine
CID 160550523

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione?
The IUPAC name of 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione (CID 159734996) is 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione.
What is the SMILES notation for 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione?
The canonical SMILES for 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione is C.C.C/N=C(\C)C/C(C)=N/C.CC(=O)CC(C)=O.CN.CN.
What is the InChIKey of 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione?
The InChIKey is NBSJXDWYONVIGU-FYXHUZNQSA-N. The full InChI is InChI=1S/C7H14N2.C5H8O2.2CH5N.2CH4/c1-6(8-3)5-7(2)9-4;1-4(6)3-5(2)7;2*1-2;;/h5H2,1-4H3;3H2,1-2H3;2*2H2,1H3;2*1H4/b8-6+,9-7+;;;;;.
What are the key properties of 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione?
2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione has a molecular weight of 320.52 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethylpentane-2,4-diimine;methanamine;methane;pentane-2,4-dione is sourced from PubChem (CID 159734996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).