3-methyl-N-propan-2-ylbut-2-en-1-imine

C8H15N — CID 13061751

IUPAC3-methyl-N-propan-2-ylbut-2-en-1-imine
SMILESCC(C)=C/C=N/C(C)C
InChIInChI=1S/C8H15N/c1-7(2)5-6-9-8(3)4/h5-6,8H,1-4H3/b9-6+
InChIKeyISKUTHMMLMPNFI-RMKNXTFCSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds2

About 3-methyl-N-propan-2-ylbut-2-en-1-imine

3-methyl-N-propan-2-ylbut-2-en-1-imine (PubChem CID 13061751) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-methyl-N-propan-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name3-methyl-N-propan-2-ylbut-2-en-1-imine
PubChem CID13061751
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-methyl-N-propan-2-ylbut-2-en-1-imine
SMILESCC(C)=C/C=N/C(C)C
InChIInChI=1S/C8H15N/c1-7(2)5-6-9-8(3)4/h5-6,8H,1-4H3/b9-6+
InChIKeyISKUTHMMLMPNFI-RMKNXTFCSA-N
XLogP2.43
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 ≤ 52.43
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 3-methyl-N-propan-2-ylbut-2-en-1-imine?
The IUPAC name of 3-methyl-N-propan-2-ylbut-2-en-1-imine (CID 13061751) is 3-methyl-N-propan-2-ylbut-2-en-1-imine.
What is the SMILES notation for 3-methyl-N-propan-2-ylbut-2-en-1-imine?
The canonical SMILES for 3-methyl-N-propan-2-ylbut-2-en-1-imine is CC(C)=C/C=N/C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-ylbut-2-en-1-imine?
The InChIKey is ISKUTHMMLMPNFI-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)5-6-9-8(3)4/h5-6,8H,1-4H3/b9-6+.
What are the key properties of 3-methyl-N-propan-2-ylbut-2-en-1-imine?
3-methyl-N-propan-2-ylbut-2-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-ylbut-2-en-1-imine is sourced from PubChem (CID 13061751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).