methanamine;2,5,6-trimethylpyridine-3,4-diimine

C9H16N4 — CID 142838730

IUPACmethanamine;2,5,6-trimethylpyridine-3,4-diimine
SMILESCN.[H]/N=C1\C(C)=NC(C)=C(C)\C1=N\[H]
InChIInChI=1S/C8H11N3.CH5N/c1-4-5(2)11-6(3)8(10)7(4)9;1-2/h9-10H,1-3H3;2H2,1H3/b9-7-,10-8+;
InChIKeyHYLXIAZJPIGSAR-OMINISFASA-N
MW180.25 g/mol
LogP1.37
Rot. Bonds

About methanamine;2,5,6-trimethylpyridine-3,4-diimine

methanamine;2,5,6-trimethylpyridine-3,4-diimine (PubChem CID 142838730) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is methanamine;2,5,6-trimethylpyridine-3,4-diimine.

Molecular Properties

Compound Namemethanamine;2,5,6-trimethylpyridine-3,4-diimine
PubChem CID142838730
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Namemethanamine;2,5,6-trimethylpyridine-3,4-diimine
SMILESCN.[H]/N=C1\C(C)=NC(C)=C(C)\C1=N\[H]
InChIInChI=1S/C8H11N3.CH5N/c1-4-5(2)11-6(3)8(10)7(4)9;1-2/h9-10H,1-3H3;2H2,1H3/b9-7-,10-8+;
InChIKeyHYLXIAZJPIGSAR-OMINISFASA-N
XLogP1.37
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine
CID 66908657
(E)-N,3-dimethyl-4-methyliminohept-2-en-2-amine
CID 134567686
(E)-N,3-dimethyl-4-methyliminooct-2-en-2-amine
CID 134567803
(E)-N,3-dimethyl-4-methyliminonon-2-en-2-amine
CID 134567900
ethane;(2Z)-1-N-methyl-2-[1-(methylideneamino)ethylidene]pentane-1,4-diimine
CID 141838865
2,5,6-Trimethylpyridine-3,4-diimine
CID 142838731
(Z)-3-ethyl-4-methyliminopent-2-en-2-amine
CID 143420792
3-N,4-N,2,5,6-pentamethylpyridine-3,4-diimine
CID 144670654
1-(2-Methyliminocyclohexylidene)ethanamine
CID 148723804
3-Ethyl-4-methyliminopent-2-en-2-amine
CID 152849528
(Z)-3-(C,N-dimethylcarbonimidoyl)-5-methylhex-2-en-2-amine
CID 156899022
2,5,6-Trimethyl-3-methylimino-4-propan-2-ylidenecyclohexa-1,5-dien-1-amine
CID 159526177

Frequently Asked Questions

What is the IUPAC name of methanamine;2,5,6-trimethylpyridine-3,4-diimine?
The IUPAC name of methanamine;2,5,6-trimethylpyridine-3,4-diimine (CID 142838730) is methanamine;2,5,6-trimethylpyridine-3,4-diimine.
What is the SMILES notation for methanamine;2,5,6-trimethylpyridine-3,4-diimine?
The canonical SMILES for methanamine;2,5,6-trimethylpyridine-3,4-diimine is CN.[H]/N=C1\C(C)=NC(C)=C(C)\C1=N\[H].
What is the InChIKey of methanamine;2,5,6-trimethylpyridine-3,4-diimine?
The InChIKey is HYLXIAZJPIGSAR-OMINISFASA-N. The full InChI is InChI=1S/C8H11N3.CH5N/c1-4-5(2)11-6(3)8(10)7(4)9;1-2/h9-10H,1-3H3;2H2,1H3/b9-7-,10-8+;.
What are the key properties of methanamine;2,5,6-trimethylpyridine-3,4-diimine?
methanamine;2,5,6-trimethylpyridine-3,4-diimine has a molecular weight of 180.25 g/mol, XLogP of 1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2,5,6-trimethylpyridine-3,4-diimine is sourced from PubChem (CID 142838730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).