2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine

C11H18N2 — CID 123202202

IUPAC2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine
SMILESC=C(C)C=NC(N=C(C)C)=C(C)C
InChIInChI=1S/C11H18N2/c1-8(2)7-12-11(9(3)4)13-10(5)6/h7H,1H2,2-6H3
InChIKeyACNPKXNRXRJPPK-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.37
Rot. Bonds3

About 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine

2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine (PubChem CID 123202202) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine
PubChem CID123202202
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine
SMILESC=C(C)C=NC(N=C(C)C)=C(C)C
InChIInChI=1S/C11H18N2/c1-8(2)7-12-11(9(3)4)13-10(5)6/h7H,1H2,2-6H3
InChIKeyACNPKXNRXRJPPK-UHFFFAOYSA-N
XLogP3.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine (CID 123202202) is 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine is C=C(C)C=NC(N=C(C)C)=C(C)C.
What is the InChIKey of 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine?
The InChIKey is ACNPKXNRXRJPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)7-12-11(9(3)4)13-10(5)6/h7H,1H2,2-6H3.
What are the key properties of 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine?
2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 123202202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).