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

C24H42F2N4 — CID 144818247

IUPACN'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane
SMILESC=C(C)N/C(=N\C1CCCCC1)C1=C(C)CC(CC)=N1.CC.FC1(F)CCNCC1
InChIInChI=1S/C17H27N3.C5H9F2N.C2H6/c1-5-14-11-13(4)16(19-14)17(18-12(2)3)20-15-9-7-6-8-10-15;6-5(7)1-3-8-4-2-5;1-2/h15H,2,5-11H2,1,3-4H3,(H,18,20);8H,1-4H2;1-2H3
InChIKeyZOWYHFHAZQCBDW-UHFFFAOYSA-N
MW424.62 g/mol
LogP6.40
Rot. Bonds4

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

N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane (PubChem CID 144818247) has the molecular formula C24H42F2N4 and a molecular weight of 424.62 g/mol. Its IUPAC name is N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane.

Molecular Properties

Compound NameN'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane
PubChem CID144818247
Molecular FormulaC24H42F2N4
Molecular Weight424.62 g/mol
Exact Mass424.34
IUPAC NameN'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane
SMILESC=C(C)N/C(=N\C1CCCCC1)C1=C(C)CC(CC)=N1.CC.FC1(F)CCNCC1
InChIInChI=1S/C17H27N3.C5H9F2N.C2H6/c1-5-14-11-13(4)16(19-14)17(18-12(2)3)20-15-9-7-6-8-10-15;6-5(7)1-3-8-4-2-5;1-2/h15H,2,5-11H2,1,3-4H3,(H,18,20);8H,1-4H2;1-2H3
InChIKeyZOWYHFHAZQCBDW-UHFFFAOYSA-N
XLogP6.40
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.62
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-2-N-[(2Z,4Z)-1-imino-1-(2-methylpiperidin-1-yl)-4-propylhepta-2,4-dien-3-yl]propane-1,2-diamine
CID 167047778
(3E)-N-[(E)-but-1-enyl]-3-[1-(3-methylpiperazin-1-yl)ethylidene]-4-(2,2,3-trifluoropropyl)pyrrol-2-amine
CID 168186347
(2R)-N-[(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidin-3-yl]-2-ethyl-4-(trifluoromethyl)-1,2-dihydropyrrol-5-imine;ethane
CID 178040168
(2R)-N-[(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidin-3-yl]-2-ethyl-4-(trifluoromethyl)-1,2-dihydropyrrol-5-imine
CID 178040169
N',2-dimethyl-N-[(2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidin-3-yl]cyclopentene-1-carboximidamide
CID 178040178

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;4,4-difluoropiperidine;ethane?
The IUPAC name of N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane (CID 144818247) is N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane.
What is the SMILES notation for N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane?
The canonical SMILES for N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane is C=C(C)N/C(=N\C1CCCCC1)C1=C(C)CC(CC)=N1.CC.FC1(F)CCNCC1.
What is the InChIKey of N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane?
The InChIKey is ZOWYHFHAZQCBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3.C5H9F2N.C2H6/c1-5-14-11-13(4)16(19-14)17(18-12(2)3)20-15-9-7-6-8-10-15;6-5(7)1-3-8-4-2-5;1-2/h15H,2,5-11H2,1,3-4H3,(H,18,20);8H,1-4H2;1-2H3.
What are the key properties of N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane?
N'-cyclohexyl-2-ethyl-4-methyl-N-prop-1-en-2-yl-3H-pyrrole-5-carboximidamide;4,4-difluoropiperidine;ethane has a molecular weight of 424.62 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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;4,4-difluoropiperidine;ethane is sourced from PubChem (CID 144818247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).