N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine

C8H13N — CID 142207556

IUPACN-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine
SMILESC=N/C=C\C(=C)C(C)C
InChIInChI=1S/C8H13N/c1-7(2)8(3)5-6-9-4/h5-7H,3-4H2,1-2H3/b6-5-
InChIKeyGXXWCCASMLKPFB-WAYWQWQTSA-N
MW123.20 g/mol
LogP2.41
Rot. Bonds3

About N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine

N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine (PubChem CID 142207556) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine
PubChem CID142207556
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine
SMILESC=N/C=C\C(=C)C(C)C
InChIInChI=1S/C8H13N/c1-7(2)8(3)5-6-9-4/h5-7H,3-4H2,1-2H3/b6-5-
InChIKeyGXXWCCASMLKPFB-WAYWQWQTSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine?
The IUPAC name of N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine (CID 142207556) is N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine is C=N/C=C\C(=C)C(C)C.
What is the InChIKey of N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine?
The InChIKey is GXXWCCASMLKPFB-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H13N/c1-7(2)8(3)5-6-9-4/h5-7H,3-4H2,1-2H3/b6-5-.
What are the key properties of N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine?
N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine has a molecular weight of 123.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methyl-3-methylidenepent-1-enyl]methanimine is sourced from PubChem (CID 142207556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).