N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine

C8H15N — CID 88900753

IUPACN-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine
SMILESC/C=C(C)\N=C\C(C)C
InChIInChI=1S/C8H15N/c1-5-8(4)9-6-7(2)3/h5-7H,1-4H3/b8-5-,9-6+
InChIKeyIDEYJIKHTILUNX-LDFAFZTOSA-N
MW125.21 g/mol
LogP2.64
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine

N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine (PubChem CID 88900753) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine
PubChem CID88900753
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine
SMILESC/C=C(C)\N=C\C(C)C
InChIInChI=1S/C8H15N/c1-5-8(4)9-6-7(2)3/h5-7H,1-4H3/b8-5-,9-6+
InChIKeyIDEYJIKHTILUNX-LDFAFZTOSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.64
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-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine (CID 88900753) is N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine is C/C=C(C)\N=C\C(C)C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine?
The InChIKey is IDEYJIKHTILUNX-LDFAFZTOSA-N. The full InChI is InChI=1S/C8H15N/c1-5-8(4)9-6-7(2)3/h5-7H,1-4H3/b8-5-,9-6+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine?
N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-2-methylpropan-1-imine is sourced from PubChem (CID 88900753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).