N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine

C12H20N2 — CID 145197728

IUPACN-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine
SMILESC=C1CNC/C1=N\C(=C/C)C(C)(C)C
InChIInChI=1S/C12H20N2/c1-6-11(12(3,4)5)14-10-8-13-7-9(10)2/h6,13H,2,7-8H2,1,3-5H3/b11-6-,14-10+
InChIKeyUMWMCABAZCPHEX-HNPFEXMKSA-N
MW192.31 g/mol
LogP2.54
Rot. Bonds1

About N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine

N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine (PubChem CID 145197728) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine.

Molecular Properties

Compound NameN-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine
PubChem CID145197728
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine
SMILESC=C1CNC/C1=N\C(=C/C)C(C)(C)C
InChIInChI=1S/C12H20N2/c1-6-11(12(3,4)5)14-10-8-13-7-9(10)2/h6,13H,2,7-8H2,1,3-5H3/b11-6-,14-10+
InChIKeyUMWMCABAZCPHEX-HNPFEXMKSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
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 N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine?
The IUPAC name of N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine (CID 145197728) is N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine.
What is the SMILES notation for N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine?
The canonical SMILES for N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine is C=C1CNC/C1=N\C(=C/C)C(C)(C)C.
What is the InChIKey of N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine?
The InChIKey is UMWMCABAZCPHEX-HNPFEXMKSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-11(12(3,4)5)14-10-8-13-7-9(10)2/h6,13H,2,7-8H2,1,3-5H3/b11-6-,14-10+.
What are the key properties of N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine?
N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine has a molecular weight of 192.31 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4,4-dimethylpent-2-en-3-yl]-4-methylidenepyrrolidin-3-imine is sourced from PubChem (CID 145197728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).