4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine

C65H99N — CID 89264848

IUPAC4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine
SMILESC=C(CCC(CC)N(CCCC(CCC)C1CC=CCC1)C1C=CC(C2C=CC(C(CC3=CCC(C4CC=CCC4)CC3)C[C@H]3CC=C(C4=CCCCC4)CC3)CC2)CC1)C1=CCCCC1
InChIInChI=1S/C65H99N/c1-4-19-54(55-22-12-7-13-23-55)28-18-47-66(64(5-2)44-29-50(3)53-20-10-6-11-21-53)65-45-42-61(43-46-65)60-38-40-62(41-39-60)63(48-51-30-34-58(35-31-51)56-24-14-8-15-25-56)49-52-32-36-59(37-33-52)57-26-16-9-17-27-57/h7-8,12,14,20,26,30,36,38,40,42,45,52,54-56,58,60-65H,3-6,9-11,13,15-19,21-25,27-29,31-35,37,39,41,43-44,46-49H2,1-2H3/t52-,54?,55?,56?,58?,60?,61?,62?,63?,64?,65?/m0/s1
InChIKeyPVNQDLDCAIZDBR-HXLMYHQOSA-N
MW894.51 g/mol
LogP19.08
Rot. Bonds22

About 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine

4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine (PubChem CID 89264848) has the molecular formula C65H99N and a molecular weight of 894.51 g/mol. Its IUPAC name is 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine
PubChem CID89264848
Molecular FormulaC65H99N
Molecular Weight894.51 g/mol
Exact Mass893.78
IUPAC Name4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine
SMILESC=C(CCC(CC)N(CCCC(CCC)C1CC=CCC1)C1C=CC(C2C=CC(C(CC3=CCC(C4CC=CCC4)CC3)C[C@H]3CC=C(C4=CCCCC4)CC3)CC2)CC1)C1=CCCCC1
InChIInChI=1S/C65H99N/c1-4-19-54(55-22-12-7-13-23-55)28-18-47-66(64(5-2)44-29-50(3)53-20-10-6-11-21-53)65-45-42-61(43-46-65)60-38-40-62(41-39-60)63(48-51-30-34-58(35-31-51)56-24-14-8-15-25-56)49-52-32-36-59(37-33-52)57-26-16-9-17-27-57/h7-8,12,14,20,26,30,36,38,40,42,45,52,54-56,58,60-65H,3-6,9-11,13,15-19,21-25,27-29,31-35,37,39,41,43-44,46-49H2,1-2H3/t52-,54?,55?,56?,58?,60?,61?,62?,63?,64?,65?/m0/s1
InChIKeyPVNQDLDCAIZDBR-HXLMYHQOSA-N
XLogP19.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.51
LogP ≤ 519.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine?
The IUPAC name of 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine (CID 89264848) is 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine?
The canonical SMILES for 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine is C=C(CCC(CC)N(CCCC(CCC)C1CC=CCC1)C1C=CC(C2C=CC(C(CC3=CCC(C4CC=CCC4)CC3)C[C@H]3CC=C(C4=CCCCC4)CC3)CC2)CC1)C1=CCCCC1.
What is the InChIKey of 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine?
The InChIKey is PVNQDLDCAIZDBR-HXLMYHQOSA-N. The full InChI is InChI=1S/C65H99N/c1-4-19-54(55-22-12-7-13-23-55)28-18-47-66(64(5-2)44-29-50(3)53-20-10-6-11-21-53)65-45-42-61(43-46-65)60-38-40-62(41-39-60)63(48-51-30-34-58(35-31-51)56-24-14-8-15-25-56)49-52-32-36-59(37-33-52)57-26-16-9-17-27-57/h7-8,12,14,20,26,30,36,38,40,42,45,52,54-56,58,60-65H,3-6,9-11,13,15-19,21-25,27-29,31-35,37,39,41,43-44,46-49H2,1-2H3/t52-,54?,55?,56?,58?,60?,61?,62?,63?,64?,65?/m0/s1.
What are the key properties of 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine?
4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine has a molecular weight of 894.51 g/mol, XLogP of 19.08, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[(1S)-4-(cyclohexen-1-yl)cyclohex-3-en-1-yl]-3-(4-cyclohex-3-en-1-ylcyclohexen-1-yl)propan-2-yl]cyclohex-2-en-1-yl]-N-[6-(cyclohexen-1-yl)hept-6-en-3-yl]-N-(4-cyclohex-3-en-1-ylheptyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 89264848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).