(Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine

C57H92N2 — CID 67951494

IUPAC(Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine
SMILESCCCCC(CCC)C(N)C/C=C\CC1CCC(C)/C(C)=C2\C=CCCC2C(C2=CC(C3C=CCCC3)CC(C3CC=CCC3)C2)CN(C2CCCC3CCCCC32)C1
InChIInChI=1S/C57H92N2/c1-5-7-23-48(21-6-2)56(58)33-19-14-22-44-36-35-42(3)43(4)52-30-17-18-32-54(52)55(41-59(40-44)57-34-20-29-47-28-15-16-31-53(47)57)51-38-49(45-24-10-8-11-25-45)37-50(39-51)46-26-12-9-13-27-46/h8,10,12,14,17,19,26,30,39,42,44-50,53-57H,5-7,9,11,13,15-16,18,20-25,27-29,31-38,40-41,58H2,1-4H3/b19-14-,52-43+
InChIKeyYRHLRHSRVSTVSH-XEELMGNPSA-N
MW805.38 g/mol
LogP15.53
Rot. Bonds14

About (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine

(Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine (PubChem CID 67951494) has the molecular formula C57H92N2 and a molecular weight of 805.38 g/mol. Its IUPAC name is (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine.

Molecular Properties

Compound Name(Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine
PubChem CID67951494
Molecular FormulaC57H92N2
Molecular Weight805.38 g/mol
Exact Mass804.73
IUPAC Name(Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine
SMILESCCCCC(CCC)C(N)C/C=C\CC1CCC(C)/C(C)=C2\C=CCCC2C(C2=CC(C3C=CCCC3)CC(C3CC=CCC3)C2)CN(C2CCCC3CCCCC32)C1
InChIInChI=1S/C57H92N2/c1-5-7-23-48(21-6-2)56(58)33-19-14-22-44-36-35-42(3)43(4)52-30-17-18-32-54(52)55(41-59(40-44)57-34-20-29-47-28-15-16-31-53(47)57)51-38-49(45-24-10-8-11-25-45)37-50(39-51)46-26-12-9-13-27-46/h8,10,12,14,17,19,26,30,39,42,44-50,53-57H,5-7,9,11,13,15-16,18,20-25,27-29,31-38,40-41,58H2,1-4H3/b19-14-,52-43+
InChIKeyYRHLRHSRVSTVSH-XEELMGNPSA-N
XLogP15.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.38
LogP ≤ 515.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine?
The IUPAC name of (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine (CID 67951494) is (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine.
What is the SMILES notation for (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine?
The canonical SMILES for (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine is CCCCC(CCC)C(N)C/C=C\CC1CCC(C)/C(C)=C2\C=CCCC2C(C2=CC(C3C=CCCC3)CC(C3CC=CCC3)C2)CN(C2CCCC3CCCCC32)C1.
What is the InChIKey of (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine?
The InChIKey is YRHLRHSRVSTVSH-XEELMGNPSA-N. The full InChI is InChI=1S/C57H92N2/c1-5-7-23-48(21-6-2)56(58)33-19-14-22-44-36-35-42(3)43(4)52-30-17-18-32-54(52)55(41-59(40-44)57-34-20-29-47-28-15-16-31-53(47)57)51-38-49(45-24-10-8-11-25-45)37-50(39-51)46-26-12-9-13-27-46/h8,10,12,14,17,19,26,30,39,42,44-50,53-57H,5-7,9,11,13,15-16,18,20-25,27-29,31-38,40-41,58H2,1-4H3/b19-14-,52-43+.
What are the key properties of (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine?
(Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine has a molecular weight of 805.38 g/mol, XLogP of 15.53, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(10E)-4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-2-(3-cyclohex-2-en-1-yl-5-cyclohex-3-en-1-ylcyclohexen-1-yl)-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-10,12-dien-6-yl]-6-propyldec-2-en-5-amine is sourced from PubChem (CID 67951494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).