methanimine;N-methylpent-1-en-3-imine

C7H14N2 — CID 144572310

IUPACmethanimine;N-methylpent-1-en-3-imine
SMILESC=C/C(CC)=N\C.[H]N=C
InChIInChI=1S/C6H11N.CH3N/c1-4-6(5-2)7-3;1-2/h4H,1,5H2,2-3H3;2H,1H2/b7-6+;
InChIKeyUAZMJBSUXJOHSX-UHDJGPCESA-N
MW126.20 g/mol
LogP1.92
Rot. Bonds2

About methanimine;N-methylpent-1-en-3-imine

methanimine;N-methylpent-1-en-3-imine (PubChem CID 144572310) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is methanimine;N-methylpent-1-en-3-imine.

Molecular Properties

Compound Namemethanimine;N-methylpent-1-en-3-imine
PubChem CID144572310
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namemethanimine;N-methylpent-1-en-3-imine
SMILESC=C/C(CC)=N\C.[H]N=C
InChIInChI=1S/C6H11N.CH3N/c1-4-6(5-2)7-3;1-2/h4H,1,5H2,2-3H3;2H,1H2/b7-6+;
InChIKeyUAZMJBSUXJOHSX-UHDJGPCESA-N
XLogP1.92
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-methyl-3-pentenylidenimine
CID 123242629
Hex-1-ene-3,4-diimine
CID 123827973
N-methylpent-1-en-3-imine
CID 21718389
Pent-1-en-3-imine
CID 91501817
1-N-methylpent-4-ene-1,3-diimine
CID 123174585
N-(2-iminopropyl)but-3-en-2-imine
CID 123357717
(Z)-2-N-methylhex-4-ene-2,3-diimine
CID 123515197
3-N,4-N-dimethylhex-1-ene-3,4-diimine
CID 123761009
N-(2-iminoethyl)but-3-en-2-imine
CID 123835332
(Z)-1-N-methylidenepent-1-ene-1,3-diimine
CID 123876003
Pent-4-ene-1,3-diimine
CID 123891482
(Z)-1-N-ethylidenepent-1-ene-1,3-diimine
CID 123908163

Frequently Asked Questions

What is the IUPAC name of methanimine;N-methylpent-1-en-3-imine?
The IUPAC name of methanimine;N-methylpent-1-en-3-imine (CID 144572310) is methanimine;N-methylpent-1-en-3-imine.
What is the SMILES notation for methanimine;N-methylpent-1-en-3-imine?
The canonical SMILES for methanimine;N-methylpent-1-en-3-imine is C=C/C(CC)=N\C.[H]N=C.
What is the InChIKey of methanimine;N-methylpent-1-en-3-imine?
The InChIKey is UAZMJBSUXJOHSX-UHDJGPCESA-N. The full InChI is InChI=1S/C6H11N.CH3N/c1-4-6(5-2)7-3;1-2/h4H,1,5H2,2-3H3;2H,1H2/b7-6+;.
What are the key properties of methanimine;N-methylpent-1-en-3-imine?
methanimine;N-methylpent-1-en-3-imine has a molecular weight of 126.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;N-methylpent-1-en-3-imine is sourced from PubChem (CID 144572310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).