N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine

C11H21N — CID 59734363

IUPACN-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=C\N=C\C(C)(C)C
InChIInChI=1S/C11H21N/c1-10(2,3)7-8-12-9-11(4,5)6/h7-9H,1-6H3/b8-7-,12-9+
InChIKeyXFUPZLAWIFFVCN-HVTAIUIQSA-N
MW167.30 g/mol
LogP3.66
Rot. Bonds1

About N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine

N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine (PubChem CID 59734363) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
PubChem CID59734363
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=C\N=C\C(C)(C)C
InChIInChI=1S/C11H21N/c1-10(2,3)7-8-12-9-11(4,5)6/h7-9H,1-6H3/b8-7-,12-9+
InChIKeyXFUPZLAWIFFVCN-HVTAIUIQSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.66
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)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine?
The IUPAC name of N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine (CID 59734363) is N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine is CC(C)(C)/C=C\N=C\C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine?
The InChIKey is XFUPZLAWIFFVCN-HVTAIUIQSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2,3)7-8-12-9-11(4,5)6/h7-9H,1-6H3/b8-7-,12-9+.
What are the key properties of N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine?
N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 59734363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).