N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide

C13H21N3 — CID 167180522

IUPACN'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
SMILESC=C/N=C/N=C1\CN(C(C)(C)CC)CC1=C
InChIInChI=1S/C13H21N3/c1-6-13(4,5)16-8-11(3)12(9-16)15-10-14-7-2/h7,10H,2-3,6,8-9H2,1,4-5H3/b14-10+,15-12+
InChIKeyJHZHFQGQVCBQOA-VDQVFBMKSA-N
MW219.33 g/mol
LogP2.66
Rot. Bonds4

About N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide

N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide (PubChem CID 167180522) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
PubChem CID167180522
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
SMILESC=C/N=C/N=C1\CN(C(C)(C)CC)CC1=C
InChIInChI=1S/C13H21N3/c1-6-13(4,5)16-8-11(3)12(9-16)15-10-14-7-2/h7,10H,2-3,6,8-9H2,1,4-5H3/b14-10+,15-12+
InChIKeyJHZHFQGQVCBQOA-VDQVFBMKSA-N
XLogP2.66
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide?
The IUPAC name of N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide (CID 167180522) is N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide.
What is the SMILES notation for N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide?
The canonical SMILES for N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide is C=C/N=C/N=C1\CN(C(C)(C)CC)CC1=C.
What is the InChIKey of N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide?
The InChIKey is JHZHFQGQVCBQOA-VDQVFBMKSA-N. The full InChI is InChI=1S/C13H21N3/c1-6-13(4,5)16-8-11(3)12(9-16)15-10-14-7-2/h7,10H,2-3,6,8-9H2,1,4-5H3/b14-10+,15-12+.
What are the key properties of N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide?
N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide has a molecular weight of 219.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide is sourced from PubChem (CID 167180522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).