N-(2-methylprop-1-enyl)methanimine;propane

C8H17N — CID 143398051

IUPACN-(2-methylprop-1-enyl)methanimine;propane
SMILESC=NC=C(C)C.CCC
InChIInChI=1S/C5H9N.C3H8/c1-5(2)4-6-3;1-3-2/h4H,3H2,1-2H3;3H2,1-2H3
InChIKeyFDRRYPWAYMOEFY-UHFFFAOYSA-N
MW127.23 g/mol
LogP3.03
Rot. Bonds1

About N-(2-methylprop-1-enyl)methanimine;propane

N-(2-methylprop-1-enyl)methanimine;propane (PubChem CID 143398051) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)methanimine;propane.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)methanimine;propane
PubChem CID143398051
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-(2-methylprop-1-enyl)methanimine;propane
SMILESC=NC=C(C)C.CCC
InChIInChI=1S/C5H9N.C3H8/c1-5(2)4-6-3;1-3-2/h4H,3H2,1-2H3;3H2,1-2H3
InChIKeyFDRRYPWAYMOEFY-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)methanimine;propane?
The IUPAC name of N-(2-methylprop-1-enyl)methanimine;propane (CID 143398051) is N-(2-methylprop-1-enyl)methanimine;propane.
What is the SMILES notation for N-(2-methylprop-1-enyl)methanimine;propane?
The canonical SMILES for N-(2-methylprop-1-enyl)methanimine;propane is C=NC=C(C)C.CCC.
What is the InChIKey of N-(2-methylprop-1-enyl)methanimine;propane?
The InChIKey is FDRRYPWAYMOEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C3H8/c1-5(2)4-6-3;1-3-2/h4H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of N-(2-methylprop-1-enyl)methanimine;propane?
N-(2-methylprop-1-enyl)methanimine;propane has a molecular weight of 127.23 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)methanimine;propane is sourced from PubChem (CID 143398051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).