N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine

C39H52N2 — CID 88530144

IUPACN-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine
SMILES[H]/N=C/C(=C\CC)C1CCC(C(C)C/C=C(\CNC2C=CCCC2)C2=CC=CC(C3=CCCCC3)C2)=C2C=CC=CC21
InChIInChI=1S/C39H52N2/c1-3-13-33(27-40)37-25-24-36(38-20-10-11-21-39(37)38)29(2)22-23-34(28-41-35-18-8-5-9-19-35)32-17-12-16-31(26-32)30-14-6-4-7-15-30/h8,10-14,16-18,20-21,23,27,29,31,35,37,39-41H,3-7,9,15,19,22,24-26,28H2,1-2H3/b33-13+,34-23+,40-27+
InChIKeyAORKNFKDXZYRLQ-AETQDLDJSA-N
MW548.86 g/mol
LogP10.07
Rot. Bonds11

About N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine

N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine (PubChem CID 88530144) has the molecular formula C39H52N2 and a molecular weight of 548.86 g/mol. Its IUPAC name is N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine
PubChem CID88530144
Molecular FormulaC39H52N2
Molecular Weight548.86 g/mol
Exact Mass548.41
IUPAC NameN-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine
SMILES[H]/N=C/C(=C\CC)C1CCC(C(C)C/C=C(\CNC2C=CCCC2)C2=CC=CC(C3=CCCCC3)C2)=C2C=CC=CC21
InChIInChI=1S/C39H52N2/c1-3-13-33(27-40)37-25-24-36(38-20-10-11-21-39(37)38)29(2)22-23-34(28-41-35-18-8-5-9-19-35)32-17-12-16-31(26-32)30-14-6-4-7-15-30/h8,10-14,16-18,20-21,23,27,29,31,35,37,39-41H,3-7,9,15,19,22,24-26,28H2,1-2H3/b33-13+,34-23+,40-27+
InChIKeyAORKNFKDXZYRLQ-AETQDLDJSA-N
XLogP10.07
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.86
LogP ≤ 510.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine (CID 88530144) is N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine is [H]/N=C/C(=C\CC)C1CCC(C(C)C/C=C(\CNC2C=CCCC2)C2=CC=CC(C3=CCCCC3)C2)=C2C=CC=CC21.
What is the InChIKey of N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine?
The InChIKey is AORKNFKDXZYRLQ-AETQDLDJSA-N. The full InChI is InChI=1S/C39H52N2/c1-3-13-33(27-40)37-25-24-36(38-20-10-11-21-39(37)38)29(2)22-23-34(28-41-35-18-8-5-9-19-35)32-17-12-16-31(26-32)30-14-6-4-7-15-30/h8,10-14,16-18,20-21,23,27,29,31,35,37,39-41H,3-7,9,15,19,22,24-26,28H2,1-2H3/b33-13+,34-23+,40-27+.
What are the key properties of N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine?
N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine has a molecular weight of 548.86 g/mol, XLogP of 10.07, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[5-(cyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-5-[4-[(Z)-1-iminopent-2-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]hex-2-enyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 88530144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).