N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide

C23H41N3 — CID 167180523

IUPACN'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide
SMILESC=C/N=C/N=C1\CN(C(C)(CCCCCC)CCCCCCC)CC1=C
InChIInChI=1S/C23H41N3/c1-6-9-11-13-15-17-23(5,16-14-12-10-7-2)26-18-21(4)22(19-26)25-20-24-8-3/h8,20H,3-4,6-7,9-19H2,1-2,5H3/b24-20+,25-22+
InChIKeyJPLZHOWXLGLKSJ-BBMQNDFZSA-N
MW359.60 g/mol
LogP6.56
Rot. Bonds14

About N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide

N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide (PubChem CID 167180523) has the molecular formula C23H41N3 and a molecular weight of 359.60 g/mol. Its IUPAC name is N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide
PubChem CID167180523
Molecular FormulaC23H41N3
Molecular Weight359.60 g/mol
Exact Mass359.33
IUPAC NameN'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide
SMILESC=C/N=C/N=C1\CN(C(C)(CCCCCC)CCCCCCC)CC1=C
InChIInChI=1S/C23H41N3/c1-6-9-11-13-15-17-23(5,16-14-12-10-7-2)26-18-21(4)22(19-26)25-20-24-8-3/h8,20H,3-4,6-7,9-19H2,1-2,5H3/b24-20+,25-22+
InChIKeyJPLZHOWXLGLKSJ-BBMQNDFZSA-N
XLogP6.56
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide?
The IUPAC name of N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide (CID 167180523) is N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide.
What is the SMILES notation for N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide?
The canonical SMILES for N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide is C=C/N=C/N=C1\CN(C(C)(CCCCCC)CCCCCCC)CC1=C.
What is the InChIKey of N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide?
The InChIKey is JPLZHOWXLGLKSJ-BBMQNDFZSA-N. The full InChI is InChI=1S/C23H41N3/c1-6-9-11-13-15-17-23(5,16-14-12-10-7-2)26-18-21(4)22(19-26)25-20-24-8-3/h8,20H,3-4,6-7,9-19H2,1-2,5H3/b24-20+,25-22+.
What are the key properties of N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide?
N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide has a molecular weight of 359.60 g/mol, XLogP of 6.56, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-[4-methylidene-1-(7-methyltetradecan-7-yl)pyrrolidin-3-ylidene]methanimidamide is sourced from PubChem (CID 167180523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).