N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine

C43H65N — CID 67951448

IUPACN-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine
SMILESCCC(CC)C(CNC1C=CC2CCC=CC2C1)C1CCC=C/C1=C(/C)C1CC=C(C2CCC([C@@H]3CC=CCC3)CC2)CC1
InChIInChI=1S/C43H65N/c1-4-32(5-2)43(30-44-40-28-27-35-15-9-10-16-39(35)29-40)42-18-12-11-17-41(42)31(3)33-19-21-37(22-20-33)38-25-23-36(24-26-38)34-13-7-6-8-14-34/h6-7,10-11,16-17,21,27-28,32-36,38-40,42-44H,4-5,8-9,12-15,18-20,22-26,29-30H2,1-3H3/b41-31+/t33?,34-,35?,36?,38?,39?,40?,42?,43?/m1/s1
InChIKeyDMRUCCCCBNEXGX-KIILIPRRSA-N
MW596.00 g/mol
LogP11.71
Rot. Bonds10

About N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine

N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine (PubChem CID 67951448) has the molecular formula C43H65N and a molecular weight of 596.00 g/mol. Its IUPAC name is N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine
PubChem CID67951448
Molecular FormulaC43H65N
Molecular Weight596.00 g/mol
Exact Mass595.51
IUPAC NameN-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine
SMILESCCC(CC)C(CNC1C=CC2CCC=CC2C1)C1CCC=C/C1=C(/C)C1CC=C(C2CCC([C@@H]3CC=CCC3)CC2)CC1
InChIInChI=1S/C43H65N/c1-4-32(5-2)43(30-44-40-28-27-35-15-9-10-16-39(35)29-40)42-18-12-11-17-41(42)31(3)33-19-21-37(22-20-33)38-25-23-36(24-26-38)34-13-7-6-8-14-34/h6-7,10-11,16-17,21,27-28,32-36,38-40,42-44H,4-5,8-9,12-15,18-20,22-26,29-30H2,1-3H3/b41-31+/t33?,34-,35?,36?,38?,39?,40?,42?,43?/m1/s1
InChIKeyDMRUCCCCBNEXGX-KIILIPRRSA-N
XLogP11.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.00
LogP ≤ 511.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine?
The IUPAC name of N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine (CID 67951448) is N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine?
The canonical SMILES for N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine is CCC(CC)C(CNC1C=CC2CCC=CC2C1)C1CCC=C/C1=C(/C)C1CC=C(C2CCC([C@@H]3CC=CCC3)CC2)CC1.
What is the InChIKey of N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine?
The InChIKey is DMRUCCCCBNEXGX-KIILIPRRSA-N. The full InChI is InChI=1S/C43H65N/c1-4-32(5-2)43(30-44-40-28-27-35-15-9-10-16-39(35)29-40)42-18-12-11-17-41(42)31(3)33-19-21-37(22-20-33)38-25-23-36(24-26-38)34-13-7-6-8-14-34/h6-7,10-11,16-17,21,27-28,32-36,38-40,42-44H,4-5,8-9,12-15,18-20,22-26,29-30H2,1-3H3/b41-31+/t33?,34-,35?,36?,38?,39?,40?,42?,43?/m1/s1.
What are the key properties of N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine?
N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine has a molecular weight of 596.00 g/mol, XLogP of 11.71, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[1-[4-[4-[(1S)-cyclohex-3-en-1-yl]cyclohexyl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]-3-ethylpentyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine is sourced from PubChem (CID 67951448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).