N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide

C17H27N3 — CID 144818248

IUPACN'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide
SMILESC=C(C)N/C(=N\C1CCCCC1)C1=C(C)CC(CC)=N1
InChIInChI=1S/C17H27N3/c1-5-14-11-13(4)16(19-14)17(18-12(2)3)20-15-9-7-6-8-10-15/h15H,2,5-11H2,1,3-4H3,(H,18,20)
InChIKeyYDFGNFGKKDRWLG-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.37
Rot. Bonds4

About N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide

N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide (PubChem CID 144818248) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide
PubChem CID144818248
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide
SMILESC=C(C)N/C(=N\C1CCCCC1)C1=C(C)CC(CC)=N1
InChIInChI=1S/C17H27N3/c1-5-14-11-13(4)16(19-14)17(18-12(2)3)20-15-9-7-6-8-10-15/h15H,2,5-11H2,1,3-4H3,(H,18,20)
InChIKeyYDFGNFGKKDRWLG-UHFFFAOYSA-N
XLogP4.37
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
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

2-amino-N'-cyclopropyl-N-prop-1-en-2-ylcyclopentene-1-carboximidamide
CID 163898136

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide?
The IUPAC name of N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide (CID 144818248) is N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide?
The canonical SMILES for N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide is C=C(C)N/C(=N\C1CCCCC1)C1=C(C)CC(CC)=N1.
What is the InChIKey of N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide?
The InChIKey is YDFGNFGKKDRWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-14-11-13(4)16(19-14)17(18-12(2)3)20-15-9-7-6-8-10-15/h15H,2,5-11H2,1,3-4H3,(H,18,20).
What are the key properties of N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide?
N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide has a molecular weight of 273.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide is sourced from PubChem (CID 144818248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).