2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine

C14H24F2N2 — CID 123284441

IUPAC2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine
SMILESCC=C(/C=N/CC)C(CN)C1CCC(F)(F)CC1
InChIInChI=1S/C14H24F2N2/c1-3-11(10-18-4-2)13(9-17)12-5-7-14(15,16)8-6-12/h3,10,12-13H,4-9,17H2,1-2H3/b11-3?,18-10+
InChIKeyJMPARPRNPDWVBS-OLRKNTPDSA-N
MW258.36 g/mol
LogP3.42
Rot. Bonds5

About 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine

2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine (PubChem CID 123284441) has the molecular formula C14H24F2N2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine
PubChem CID123284441
Molecular FormulaC14H24F2N2
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine
SMILESCC=C(/C=N/CC)C(CN)C1CCC(F)(F)CC1
InChIInChI=1S/C14H24F2N2/c1-3-11(10-18-4-2)13(9-17)12-5-7-14(15,16)8-6-12/h3,10,12-13H,4-9,17H2,1-2H3/b11-3?,18-10+
InChIKeyJMPARPRNPDWVBS-OLRKNTPDSA-N
XLogP3.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine (CID 123284441) is 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine is CC=C(/C=N/CC)C(CN)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine?
The InChIKey is JMPARPRNPDWVBS-OLRKNTPDSA-N. The full InChI is InChI=1S/C14H24F2N2/c1-3-11(10-18-4-2)13(9-17)12-5-7-14(15,16)8-6-12/h3,10,12-13H,4-9,17H2,1-2H3/b11-3?,18-10+.
What are the key properties of 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine?
2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-3-(ethyliminomethyl)pent-3-en-1-amine is sourced from PubChem (CID 123284441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).