4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine

C22H34N2 — CID 78059876

IUPAC4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine
SMILESNC1CC=C(C=CC2=CCC(C=CC3CCC(N)CC3)CC2)CC1
InChIInChI=1S/C22H34N2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1,5-9,18,20-22H,2-4,10-16,23-24H2
InChIKeyXERUYGKWZDAJDL-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.78
Rot. Bonds4

About 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine

4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine (PubChem CID 78059876) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine
PubChem CID78059876
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine
SMILESNC1CC=C(C=CC2=CCC(C=CC3CCC(N)CC3)CC2)CC1
InChIInChI=1S/C22H34N2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1,5-9,18,20-22H,2-4,10-16,23-24H2
InChIKeyXERUYGKWZDAJDL-UHFFFAOYSA-N
XLogP4.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine?
The IUPAC name of 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine (CID 78059876) is 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine?
The canonical SMILES for 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine is NC1CC=C(C=CC2=CCC(C=CC3CCC(N)CC3)CC2)CC1.
What is the InChIKey of 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine?
The InChIKey is XERUYGKWZDAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1,5-9,18,20-22H,2-4,10-16,23-24H2.
What are the key properties of 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine?
4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine has a molecular weight of 326.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(4-aminocyclohexyl)ethenyl]cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 78059876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).