(1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine

C13H22N2 — CID 166788680

IUPAC(1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine
SMILESC=C1CN(C(C)(C)C)C(=C)/C1=C/N(C)C
InChIInChI=1S/C13H22N2/c1-10-8-15(13(3,4)5)11(2)12(10)9-14(6)7/h9H,1-2,8H2,3-7H3/b12-9+
InChIKeyPJWLSICSRHUVMS-FMIVXFBMSA-N
MW206.33 g/mol
LogP2.62
Rot. Bonds1

About (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine

(1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine (PubChem CID 166788680) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine
PubChem CID166788680
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine
SMILESC=C1CN(C(C)(C)C)C(=C)/C1=C/N(C)C
InChIInChI=1S/C13H22N2/c1-10-8-15(13(3,4)5)11(2)12(10)9-14(6)7/h9H,1-2,8H2,3-7H3/b12-9+
InChIKeyPJWLSICSRHUVMS-FMIVXFBMSA-N
XLogP2.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine?
The IUPAC name of (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine (CID 166788680) is (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine.
What is the SMILES notation for (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine?
The canonical SMILES for (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine is C=C1CN(C(C)(C)C)C(=C)/C1=C/N(C)C.
What is the InChIKey of (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine?
The InChIKey is PJWLSICSRHUVMS-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-8-15(13(3,4)5)11(2)12(10)9-14(6)7/h9H,1-2,8H2,3-7H3/b12-9+.
What are the key properties of (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine?
(1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine has a molecular weight of 206.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(1-tert-butyl-2,4-dimethylidenepyrrolidin-3-ylidene)-N,N-dimethylmethanamine is sourced from PubChem (CID 166788680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).