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

C16H27N3 — CID 167180543

IUPACN'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
SMILESC=C/N=C/N=C1\CN(C(C)(CCC)CCC)CC1=C
InChIInChI=1S/C16H27N3/c1-6-9-16(5,10-7-2)19-11-14(4)15(12-19)18-13-17-8-3/h8,13H,3-4,6-7,9-12H2,1-2,5H3/b17-13+,18-15+
InChIKeyGONXUEIRJZIIPL-YUIMGRLZSA-N
MW261.41 g/mol
LogP3.83
Rot. Bonds7

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

N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide (PubChem CID 167180543) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
PubChem CID167180543
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
SMILESC=C/N=C/N=C1\CN(C(C)(CCC)CCC)CC1=C
InChIInChI=1S/C16H27N3/c1-6-9-16(5,10-7-2)19-11-14(4)15(12-19)18-13-17-8-3/h8,13H,3-4,6-7,9-12H2,1-2,5H3/b17-13+,18-15+
InChIKeyGONXUEIRJZIIPL-YUIMGRLZSA-N
XLogP3.83
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.83
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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Related Compounds

N-(1-tert-butyl-4-methylidenepyrrolidin-3-ylidene)-N'-ethenylmethanimidamide
CID 167180487
N'-ethenyl-N-[1-(2-methylbutan-2-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide
CID 167180522
N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide
CID 167180523

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide?
The IUPAC name of N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide (CID 167180543) is N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide.
What is the SMILES notation for N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide?
The canonical SMILES for N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide is C=C/N=C/N=C1\CN(C(C)(CCC)CCC)CC1=C.
What is the InChIKey of N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide?
The InChIKey is GONXUEIRJZIIPL-YUIMGRLZSA-N. The full InChI is InChI=1S/C16H27N3/c1-6-9-16(5,10-7-2)19-11-14(4)15(12-19)18-13-17-8-3/h8,13H,3-4,6-7,9-12H2,1-2,5H3/b17-13+,18-15+.
What are the key properties of N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide?
N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide has a molecular weight of 261.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-[1-(4-methylheptan-4-yl)-4-methylidenepyrrolidin-3-ylidene]methanimidamide is sourced from PubChem (CID 167180543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).