(Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine

C34H51N — CID 67951438

IUPAC(Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine
SMILESC=CC(CN)CC/C=C\C(C)(CC)C1C=CC(C2CCC(C3C=CCCC3)=C3CCCCC32)=CC1
InChIInChI=1S/C34H51N/c1-4-26(25-35)13-11-12-24-34(3,5-2)29-20-18-28(19-21-29)31-23-22-30(27-14-7-6-8-15-27)32-16-9-10-17-33(31)32/h4,7,12,14,18-20,24,26-27,29,31,33H,1,5-6,8-11,13,15-17,21-23,25,35H2,2-3H3/b24-12-
InChIKeyLUYCCGDUVPZOTD-MSXFZWOLSA-N
MW473.79 g/mol
LogP9.26
Rot. Bonds10

About (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine

(Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine (PubChem CID 67951438) has the molecular formula C34H51N and a molecular weight of 473.79 g/mol. Its IUPAC name is (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine.

Molecular Properties

Compound Name(Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine
PubChem CID67951438
Molecular FormulaC34H51N
Molecular Weight473.79 g/mol
Exact Mass473.40
IUPAC Name(Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine
SMILESC=CC(CN)CC/C=C\C(C)(CC)C1C=CC(C2CCC(C3C=CCCC3)=C3CCCCC32)=CC1
InChIInChI=1S/C34H51N/c1-4-26(25-35)13-11-12-24-34(3,5-2)29-20-18-28(19-21-29)31-23-22-30(27-14-7-6-8-15-27)32-16-9-10-17-33(31)32/h4,7,12,14,18-20,24,26-27,29,31,33H,1,5-6,8-11,13,15-17,21-23,25,35H2,2-3H3/b24-12-
InChIKeyLUYCCGDUVPZOTD-MSXFZWOLSA-N
XLogP9.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 59.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine?
The IUPAC name of (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine (CID 67951438) is (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine.
What is the SMILES notation for (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine?
The canonical SMILES for (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine is C=CC(CN)CC/C=C\C(C)(CC)C1C=CC(C2CCC(C3C=CCCC3)=C3CCCCC32)=CC1.
What is the InChIKey of (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine?
The InChIKey is LUYCCGDUVPZOTD-MSXFZWOLSA-N. The full InChI is InChI=1S/C34H51N/c1-4-26(25-35)13-11-12-24-34(3,5-2)29-20-18-28(19-21-29)31-23-22-30(27-14-7-6-8-15-27)32-16-9-10-17-33(31)32/h4,7,12,14,18-20,24,26-27,29,31,33H,1,5-6,8-11,13,15-17,21-23,25,35H2,2-3H3/b24-12-.
What are the key properties of (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine?
(Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine has a molecular weight of 473.79 g/mol, XLogP of 9.26, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[4-(4-cyclohex-2-en-1-yl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-2-ethenyl-7-methylnon-5-en-1-amine is sourced from PubChem (CID 67951438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).