methane;N-methyl-3-methylidenepentan-1-imine

C8H17N — CID 144512385

IUPACmethane;N-methyl-3-methylidenepentan-1-imine
SMILESC.C=C(CC)C/C=N/C
InChIInChI=1S/C7H13N.CH4/c1-4-7(2)5-6-8-3;/h6H,2,4-5H2,1,3H3;1H4/b8-6+;
InChIKeyRMKUSICLQGYLEY-WVLIHFOGSA-N
MW127.23 g/mol
LogP2.68
Rot. Bonds3

About methane;N-methyl-3-methylidenepentan-1-imine

methane;N-methyl-3-methylidenepentan-1-imine (PubChem CID 144512385) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is methane;N-methyl-3-methylidenepentan-1-imine.

Molecular Properties

Compound Namemethane;N-methyl-3-methylidenepentan-1-imine
PubChem CID144512385
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Namemethane;N-methyl-3-methylidenepentan-1-imine
SMILESC.C=C(CC)C/C=N/C
InChIInChI=1S/C7H13N.CH4/c1-4-7(2)5-6-8-3;/h6H,2,4-5H2,1,3H3;1H4/b8-6+;
InChIKeyRMKUSICLQGYLEY-WVLIHFOGSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-3-methylidenepentan-1-imine?
The IUPAC name of methane;N-methyl-3-methylidenepentan-1-imine (CID 144512385) is methane;N-methyl-3-methylidenepentan-1-imine.
What is the SMILES notation for methane;N-methyl-3-methylidenepentan-1-imine?
The canonical SMILES for methane;N-methyl-3-methylidenepentan-1-imine is C.C=C(CC)C/C=N/C.
What is the InChIKey of methane;N-methyl-3-methylidenepentan-1-imine?
The InChIKey is RMKUSICLQGYLEY-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H13N.CH4/c1-4-7(2)5-6-8-3;/h6H,2,4-5H2,1,3H3;1H4/b8-6+;.
What are the key properties of methane;N-methyl-3-methylidenepentan-1-imine?
methane;N-methyl-3-methylidenepentan-1-imine has a molecular weight of 127.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-3-methylidenepentan-1-imine is sourced from PubChem (CID 144512385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).